data_2jpa_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 2jpa _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 ' 7' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 86.4 m-85 . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.42 158.69 43.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 168.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.52 140.06 46.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.03 0.93 57.43 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -80.55 126.96 77.23 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -68.45 -15.11 41.42 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.716 2.277 . . . . 0.0 113.103 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.72 -4.33 85.26 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 121.329 -0.462 . . . . 0.0 112.322 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -124.89 -75.89 0.59 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.431 0.292 . . . . 0.0 110.656 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.28 26.95 7.34 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.371 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -82.27 170.83 14.94 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.365 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -98.88 154.72 17.82 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.307 0.575 . . . . 0.0 111.652 -172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -140.33 168.67 19.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.708 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.46 -35.2 3.14 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.311 -174.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.5 mppt? -103.82 118.15 36.02 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.295 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 1.9 pt? -49.16 -44.03 42.43 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.622 0.249 . . . . 0.0 111.098 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -68.06 -45.31 74.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.9 -29.42 70.6 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.599 0.237 . . . . 0.0 110.539 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -38.97 65.87 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.005 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.46 76.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 174.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.22 -47.72 72.92 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.86 -41.17 81.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.055 0.455 . . . . 0.0 110.584 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 t -59.07 -30.14 67.85 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.064 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -55.09 -38.07 67.64 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -40.08 73.38 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.512 176.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -81.23 -21.4 39.54 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -57.47 -23.25 48.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 122.296 -0.252 . . . . 0.0 111.019 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.55 21.4 39.08 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 116.529 -0.305 . . . . 0.0 112.418 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -128.97 16.52 6.24 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.511 0.324 . . . . 0.0 111.374 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -105.04 102.32 35.3 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 122.226 0.21 . . . . 0.0 110.574 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.32 86.3 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.6 2.2 . . . . 0.0 113.165 -170.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -75.64 166.55 23.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.684 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.47 153.37 50.95 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.761 0.315 . . . . 0.0 110.691 175.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.46 143.06 46.83 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.01 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.11 -10.27 42.55 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 42.6 m-85 -70.27 156.37 39.36 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.038 0.446 . . . . 0.0 111.334 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -88.74 -8.74 53.93 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.594 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.56 13.76 29.53 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 1.9 t -138.71 173.11 11.92 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.98 175.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -160.87 29.84 0.15 Allowed 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -85.8 161.81 18.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.596 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -130.24 141.38 50.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.5 m-85 -128.35 139.35 52.44 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.7 p -86.98 2.13 50.52 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -141.26 148.51 39.97 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 120.901 0.381 . . . . 0.0 110.747 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -44.52 92.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.26 -37.63 88.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -62.51 -48.85 77.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.499 0.19 . . . . 0.0 110.752 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.1 tp -62.2 -48.1 81.49 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.648 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.3 -41.34 88.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.532 0.206 . . . . 0.0 111.1 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.21 -47.46 82.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.254 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.4 t60 -60.74 -37.64 82.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.333 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -53.16 -38.33 62.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.543 0.211 . . . . 0.0 110.5 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -56.98 -33.23 66.89 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.556 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.25 -31.75 63.84 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.45 0.167 . . . . 0.0 111.054 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 85.0 m-70 -90.13 -39.81 12.63 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.1 p -77.24 -25.01 51.12 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.568 0.223 . . . . 0.0 111.137 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.92 4.65 88.64 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.577 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.7 126.83 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.004 0.43 . . . . 0.0 110.732 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -131.16 79.93 69.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.317 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.7 -16.65 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.783 2.322 . . . . 0.0 113.257 -171.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -86.27 96.78 10.07 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -104.11 134.95 46.51 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 120.974 0.416 . . . . 0.0 110.953 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.12 140.59 58.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.903 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -77.64 -18.88 56.3 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 -65.25 1.01 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -172.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -99.96 -2.67 34.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.605 0.241 . . . . 0.0 111.37 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.27 22.83 13.13 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -65.51 155.28 36.13 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -121.45 133.98 55.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.21 162.62 27.42 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.23 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t -113.1 4.62 16.71 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.441 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -136.07 127.64 28.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.29 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -58.65 -32.76 69.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.995 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.77 -40.6 88.29 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.071 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -67.68 -43.02 81.15 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.608 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -47.57 75.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.298 0.094 . . . . 0.0 110.829 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.42 -34.5 77.87 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.565 0.221 . . . . 0.0 110.448 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -49.54 68.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -64.02 -31.7 72.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -57.52 -41.42 80.83 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.518 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -65.28 -24.53 67.33 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.115 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 m -67.21 -34.08 76.73 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.385 0.136 . . . . 0.0 110.75 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -86.39 -22.04 26.83 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.529 0.204 . . . . 0.0 110.898 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.053 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.04 14.15 55.16 Favored Glycine 0 CA--C 1.545 1.914 0 C-N-CA 121.467 -0.397 . . . . 0.0 112.429 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.76 98.13 6.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.941 0.401 . . . . 0.0 110.615 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.18 80.14 27.53 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.73 -14.02 7.91 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.817 2.345 . . . . 0.0 112.936 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.12 74.44 10.48 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.823 0.344 . . . . 0.0 110.695 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -85.56 144.24 28.02 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.913 0.387 . . . . 0.0 110.752 176.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.03 154.44 41.94 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.251 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -111.74 0.32 16.22 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.292 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -64.97 157.27 76.95 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-O 120.511 0.196 . . . . 0.0 110.706 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -68.48 7.35 0.71 Allowed 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 122.827 2.351 . . . . 0.0 113.991 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 m -174.88 74.4 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.589 0.233 . . . . 0.0 110.611 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.4 t -164.48 -80.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.896 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 62.41 14.93 7.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.153 0.581 . . . . 0.0 111.864 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -55.22 137.74 46.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -109.46 140.27 43.41 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.136 0.493 . . . . 0.0 111.555 -169.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -130.62 160.37 34.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.51 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.44 2.11 49.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -135.92 136.42 40.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.094 0.473 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 p -57.18 -47.11 82.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.76 -33.51 76.03 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.604 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.54 -44.82 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.82 -39.07 93.34 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.833 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.8 t -59.13 -47.48 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 120.463 0.173 . . . . 0.0 110.723 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -63.6 -46.48 85.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.4 -45.71 72.98 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.857 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -60.89 -33.88 73.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.1 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -71.53 -15.65 62.3 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.527 0.204 . . . . 0.0 110.931 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.7 tpp -79.11 -16.41 56.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.048 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 C--N 1.349 0.558 0 CA-C-O 120.79 0.329 . . . . 0.0 110.479 176.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.674 0.273 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.2 mtm -136.29 158.81 43.54 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 169.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.31 136.21 46.16 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.098 0.475 . . . . 0.0 110.858 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.3 -14.76 59.28 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.665 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 41.6 t80 -74.64 122.42 87.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 CA-C-O 120.409 0.147 . . . . 0.0 110.975 -175.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -56.71 -24.63 55.98 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 122.95 2.434 . . . . 0.0 113.395 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.24 -4.97 90.02 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.307 -0.473 . . . . 0.0 112.434 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 t -126.5 -73.65 0.61 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.467 0.307 . . . . 0.0 110.788 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 45.29 38.55 3.57 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.788 0.435 . . . . 0.0 111.395 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -80.45 -179.65 7.26 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 171.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -104.46 154.76 19.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.111 0.482 . . . . 0.0 111.233 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -140.92 167.63 21.72 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.76 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -122.71 -35.04 3.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 33.3 mmtp -103.7 116.51 32.47 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.381 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -42.38 16.44 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 120.618 0.247 . . . . 0.0 110.996 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 p -68.2 -45.92 72.05 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.89 -29.43 69.32 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.662 0.268 . . . . 0.0 110.32 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -39.23 65.42 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.165 169.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -58.23 -38.9 77.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.677 0.275 . . . . 0.0 110.37 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmt -66.33 -46.87 75.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -57.93 -35.0 70.48 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -59.24 -35.06 72.99 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.39 69.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.642 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.514 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.26 -38.85 77.73 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 58.8 m-70 -86.2 -21.31 27.54 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -26.03 35.77 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.455 0.169 . . . . 0.0 111.277 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 -20.09 33.94 Favored Glycine 0 CA--C 1.551 2.294 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.51 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.79 -10.3 51.37 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.406 0.283 . . . . 0.0 110.99 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 65.6 8.84 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 122.813 0.445 . . . . 0.0 109.856 173.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.12 127.0 12.3 Favored 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 122.37 2.047 . . . . 0.0 112.473 -173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -73.4 162.4 29.35 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 169.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.75 152.43 51.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -66.91 154.33 41.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.421 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.37 11.57 13.09 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.74 -15.99 63.36 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.342 0.257 . . . . 0.0 111.381 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 75.79 -45.09 0.53 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.541 0.736 . . . . 0.0 111.151 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.64 25.03 0.94 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.71 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.3 t -148.5 -76.86 0.16 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 57.61 27.18 13.81 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -69.35 150.56 47.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -103.51 151.41 22.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 111.167 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 94.5 m-85 -135.78 164.63 27.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.1 p -108.28 1.55 22.04 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.793 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.8 mtm-85 -150.35 157.45 43.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.022 0.439 . . . . 0.0 111.057 174.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.53 87.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.629 176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.3 -36.49 77.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.439 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 HE21 ' NH2' ' A' ' 50' ' ' ARG . 61.0 mt-30 -63.69 -45.72 88.76 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.752 0.31 . . . . 0.0 110.192 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 tp -64.63 -47.6 77.96 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.981 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.27 -42.45 98.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 120.619 0.247 . . . . 0.0 110.999 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.99 -46.33 91.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.346 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 9.1 t60 -60.72 -41.75 95.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -53.44 -30.64 41.56 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 122.276 0.23 . . . . 0.0 111.496 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -54.95 -33.0 61.88 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.559 0.218 . . . . 0.0 110.587 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -55.8 -44.16 77.57 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -87.85 -39.02 15.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.6 p -70.44 -23.44 62.72 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.67 87.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 121.512 -0.375 . . . . 0.0 112.19 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -75.63 99.76 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.081 0.467 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -115.84 77.88 6.85 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.979 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -80.66 -20.38 7.99 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.848 2.365 . . . . 0.0 113.154 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -78.68 86.32 4.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -97.33 138.38 34.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.737 0.303 . . . . 0.0 110.649 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.68 133.5 52.29 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -12.64 59.2 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.96 -53.7 4.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.525 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 15.9 p -103.84 -104.28 0.3 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.172 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -164.59 11.04 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.94 120.14 9.07 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.506 -174.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -102.34 140.03 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.95 159.95 40.36 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.374 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.1 m -106.61 4.09 27.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -138.74 123.87 19.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -62.07 -28.18 69.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.283 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -66.51 -37.46 85.1 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 120.523 0.202 . . . . 0.0 111.042 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.55 -36.56 63.1 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.854 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.79 -47.67 71.39 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.7 -34.37 75.65 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.263 . . . . 0.0 110.646 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 m -66.89 -49.52 65.36 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.64 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.74 -30.74 71.81 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -54.19 -40.57 67.68 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.927 0.491 . . . . 0.0 110.678 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -61.79 -23.17 66.04 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.103 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 m -57.27 -43.7 83.33 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.678 0.275 . . . . 0.0 110.713 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.64 -22.08 24.93 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.778 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.1 m -91.79 -6.4 51.83 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.399 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.49 12.11 44.53 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.57 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.83 103.07 6.58 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.79 82.52 54.92 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -87.48 -13.31 4.24 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.806 2.337 . . . . 0.0 113.124 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -84.13 76.3 10.09 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.749 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 t -79.29 146.06 33.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.5 t -70.35 161.09 31.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.164 0.507 . . . . 0.0 110.953 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.48 2.61 8.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.95 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 101' ' ' SER . 9.3 m95 -63.81 149.26 93.38 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.83 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -68.03 20.34 0.13 Allowed 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.082 2.521 . . . . 0.0 113.868 -172.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 99' ' ' TRP . 47.1 m -164.39 25.59 0.07 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.036 0.135 . . . . 0.0 110.985 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.528 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 45.0 t -141.45 163.71 32.2 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.389 0.614 . . . . 0.0 111.496 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.2 tp-100 -163.82 36.16 0.08 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.152 169.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.528 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -71.78 147.42 47.29 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.955 175.596 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.11 142.1 49.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.199 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -128.65 162.37 27.48 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.898 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.06 -2.85 39.28 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -134.68 144.23 47.68 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.144 0.497 . . . . 0.0 110.86 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.5 p -57.65 -50.2 73.95 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.601 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.45 -33.48 75.65 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -60.51 -42.57 96.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.971 -0.456 . . . . 0.0 109.911 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -68.67 -40.39 80.19 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.144 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.4 m -60.9 -41.32 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -63.81 -46.6 84.4 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.675 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -54.4 -49.38 70.06 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.605 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.84 -37.76 74.44 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.977 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -17.82 63.87 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.506 0.194 . . . . 0.0 111.079 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.1 mtp -105.61 1.0 26.96 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.906 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -171.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.766 0.317 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.7 mtp -136.14 156.88 48.04 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 42.1 t -90.95 137.35 32.43 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.563 171.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.13 59.6 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.383 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 t80 -79.82 132.98 59.32 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.64 -34.35 25.49 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.411 2.074 . . . . 0.0 112.654 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.64 62.21 2.34 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 39.2 t -146.5 177.56 8.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.854 0.359 . . . . 0.0 110.129 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -70.5 -24.48 62.85 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.145 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 37.1 mtmm 64.53 23.64 12.92 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 123.562 0.745 . . . . 0.0 111.741 171.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -141.86 142.26 33.11 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.45 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 37.2 m-85 -145.01 170.23 16.56 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.68 -12.31 8.89 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -131.81 132.54 43.83 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.261 0.224 . . . . 0.0 110.628 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -52.9 -53.14 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -67.91 -46.03 72.71 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.65 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -30.16 71.13 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.36 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.37 -40.69 64.16 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.378 170.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -58.25 -41.19 83.67 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.654 0.264 . . . . 0.0 110.397 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -44.74 79.09 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 36.5 t60 -57.93 -39.8 78.89 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 120.768 0.318 . . . . 0.0 110.7 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.24 -34.93 72.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.537 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -55.84 -38.48 70.11 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.69 -33.66 71.88 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.412 0.149 . . . . 0.0 111.169 -177.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.1 m-70 -79.5 -20.85 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -175.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -48.69 -33.0 9.29 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.69 0.82 59.61 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.662 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -103.13 3.52 35.96 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.749 0.275 . . . . 0.0 111.14 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -113.95 83.0 7.28 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 170.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.18 171.51 18.16 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.853 2.369 . . . . 0.0 113.308 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -137.01 176.0 9.1 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.519 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.7 157.7 44.22 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.648 0.261 . . . . 0.0 110.483 170.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -68.92 146.52 52.72 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 170.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.28 -9.92 46.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.039 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.51 109.95 6.55 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.92 0.391 . . . . 0.0 109.949 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -68.17 -13.17 62.03 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.088 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.0 -1.65 58.21 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.93 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.415 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 3.6 t -118.32 -66.34 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 52.8 32.42 12.24 Favored 'General case' 0 CA--C 1.561 1.397 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -72.07 155.26 40.49 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -113.52 145.81 40.62 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 98.8 m-85 -127.65 164.64 21.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.505 -176.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.2 p -105.16 -25.98 12.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.425 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -128.99 149.83 50.66 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.862 0.363 . . . . 0.0 110.768 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.1 t -61.48 -39.46 91.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -67.96 -33.84 75.42 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.56 -44.95 96.1 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.799 0.333 . . . . 0.0 110.277 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.86 -46.31 75.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.037 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -61.75 -41.19 97.35 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.431 0.158 . . . . 0.0 110.858 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -60.63 -47.49 86.01 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.721 0.296 . . . . 0.0 110.309 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 19.8 t60 -60.78 -41.75 96.19 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -53.44 -29.8 37.35 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 122.657 0.383 . . . . 0.0 111.508 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -55.01 -32.85 62.13 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 120.551 0.215 . . . . 0.0 110.685 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -55.67 -38.15 69.23 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.762 0.425 . . . . 0.0 111.542 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -99.04 -38.43 8.96 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.594 0.235 . . . . 0.0 111.235 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.8 p -72.23 -28.88 63.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.68 1.2 83.27 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.762 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.1 110.78 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.133 0.492 . . . . 0.0 110.713 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -114.92 83.47 9.47 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.13 -17.71 13.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.529 2.153 . . . . 0.0 113.408 -170.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.67 89.21 7.91 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -98.66 130.02 45.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.718 0.295 . . . . 0.0 111.014 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.31 128.56 36.88 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.269 170.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mmpt? -80.1 -4.84 54.48 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.1 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -68.23 0.8 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.431 0.292 . . . . 0.0 110.665 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.46 -4.09 55.92 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.39 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 69.69 12.89 8.14 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.846 0.459 . . . . 0.0 111.517 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -70.79 147.5 48.87 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 120.604 0.24 . . . . 0.0 110.721 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -114.13 127.9 56.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.844 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -121.11 160.7 23.15 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.462 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.8 p -107.33 0.67 23.22 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -139.52 129.38 24.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 p -61.9 -33.47 74.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.32 -35.49 80.51 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -76.3 -37.12 57.91 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.883 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.92 -45.53 85.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.467 0.175 . . . . 0.0 110.558 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.66 -34.38 78.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.56 0.219 . . . . 0.0 110.612 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.9 m -65.3 -49.41 69.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.498 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -64.42 -31.16 72.25 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -55.71 -41.22 73.51 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.585 0.231 . . . . 0.0 110.503 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -63.08 -25.41 68.35 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.178 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 m -66.25 -37.16 84.85 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.341 0.115 . . . . 0.0 110.76 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -82.04 -22.36 36.47 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 0.0 110.721 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.3 m -91.87 -6.2 51.95 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.147 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.98 16.85 49.58 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 121.408 -0.425 . . . . 0.0 112.346 -175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -81.09 116.75 21.17 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 -172.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -126.92 83.84 64.78 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.35 -18.7 3.94 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.655 2.236 . . . . 0.0 112.924 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.8 m-85 -80.54 77.87 7.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.921 0.391 . . . . 0.0 110.702 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.7 m -78.83 140.77 38.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 12.2 t -70.34 148.32 48.59 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.893 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.3 -11.64 45.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.943 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -74.46 132.77 78.12 Favored Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.01 -47.88 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.58 2.187 . . . . 0.0 112.339 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -76.52 54.09 0.91 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.636 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.77 -84.02 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 53.97 30.7 12.16 Favored 'General case' 0 CA--C 1.562 1.412 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.678 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -70.98 154.85 41.47 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -128.43 127.6 42.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 111.037 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.68 162.62 16.03 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.976 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.54 0.28 41.99 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.223 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -137.06 137.92 39.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 110.609 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.8 p -57.12 -46.8 82.33 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.89 -33.72 75.89 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.585 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -60.72 -44.34 96.72 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 174.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 tp -68.44 -37.82 80.58 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.112 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.3 t -58.23 -47.41 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.182 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.29 -46.45 90.28 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.48 -49.82 69.23 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.877 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -57.22 -37.28 72.0 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.574 0.226 . . . . 0.0 110.865 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -15.66 63.66 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.096 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -114.2 7.7 16.65 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.96 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.014 -173.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 158.61 44.04 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 169.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 13.6 t -78.66 145.79 34.41 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.927 0.394 . . . . 0.0 110.622 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.56 -1.77 55.06 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.811 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -75.21 124.86 89.48 Favored Pre-proline 0 CA--C 1.555 1.15 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.9 -28.39 58.53 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.917 2.411 . . . . 0.0 113.539 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.31 -3.79 86.74 Favored Glycine 0 CA--C 1.544 1.886 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.538 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.8 t -115.4 -81.36 0.61 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.611 0.364 . . . . 0.0 110.68 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.54 21.1 9.6 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.609 0.364 . . . . 0.0 111.061 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -81.78 162.61 22.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 120.619 0.247 . . . . 0.0 110.508 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.7 158.78 15.39 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.277 0.561 . . . . 0.0 111.731 -171.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -144.88 170.18 16.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.895 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.25 -44.69 2.87 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.269 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -95.29 121.1 36.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.589 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -50.8 -43.69 58.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.669 0.271 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.26 -46.08 71.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.681 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -29.45 70.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.577 0.227 . . . . 0.0 110.478 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.16 -40.38 64.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 170.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -38.46 76.22 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.712 0.292 . . . . 0.0 110.303 176.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -45.24 76.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 173.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -58.06 -45.39 87.16 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.194 -0.316 . . . . 0.0 110.638 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -59.23 -33.05 70.53 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.896 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.38 -37.89 68.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.568 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.25 -36.72 68.86 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.583 0.23 . . . . 0.0 111.148 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -71.42 -20.84 62.06 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -54.26 -20.16 6.57 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.32 16.81 57.68 Favored Glycine 0 CA--C 1.548 2.136 0 C-N-CA 121.674 -0.298 . . . . 0.0 112.486 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.28 20.98 6.75 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.446 0.298 . . . . 0.0 111.072 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -111.75 94.68 24.99 Favored Pre-proline 0 N--CA 1.475 0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.623 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.45 78.5 2.69 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.782 2.321 . . . . 0.0 112.496 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -71.05 165.96 22.39 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.087 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -132.47 148.11 52.39 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.586 0.232 . . . . 0.0 110.599 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -65.94 148.84 51.17 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 169.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -93.28 -12.58 29.76 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.148 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -69.18 115.58 8.63 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.782 0.325 . . . . 0.0 110.229 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -59.98 -30.44 69.12 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.96 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.93 9.23 10.48 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.513 0.197 . . . . 0.0 111.182 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.2 -74.07 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.532 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 48.12 34.05 4.04 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.616 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -78.8 155.72 29.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.786 0.327 . . . . 0.0 110.302 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.78 143.23 35.17 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 92.2 m-85 -129.62 139.36 51.46 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -82.75 -5.65 59.01 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -170.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -145.55 153.14 40.77 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 t -58.01 -42.05 84.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.803 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.04 -42.6 98.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.144 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.76 -49.73 75.24 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.707 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.31 -46.11 90.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.814 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -59.46 -45.44 91.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.484 0.314 . . . . 0.0 111.055 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -62.0 -47.43 84.81 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.752 0.31 . . . . 0.0 110.266 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 18.0 t60 -60.67 -39.61 89.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -53.19 -36.7 61.23 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.621 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -33.1 61.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.005 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.58 -38.59 69.57 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.563 0.345 . . . . 0.0 111.135 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -83.77 -24.36 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.174 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -74.33 -32.4 62.8 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.505 0.193 . . . . 0.0 110.94 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.82 -7.33 42.8 Favored Glycine 0 CA--C 1.547 2.04 0 C-N-CA 121.646 -0.312 . . . . 0.0 112.601 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.79 132.48 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.845 0.355 . . . . 0.0 110.749 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -126.76 86.24 59.06 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.31 -19.68 6.47 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.724 2.283 . . . . 0.0 113.135 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -82.31 88.37 6.54 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.49 135.81 34.38 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.685 0.278 . . . . 0.0 110.867 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.92 139.7 58.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.088 0.47 . . . . 0.0 110.565 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.67 63.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -74.74 0.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -170.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -86.41 -6.22 58.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.324 0.25 . . . . 0.0 111.344 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 65.53 19.87 11.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 122.745 0.418 . . . . 0.0 111.418 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -66.12 135.46 54.61 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.44 137.63 42.03 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.86 160.56 32.24 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.395 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -105.72 1.5 27.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -138.18 133.31 33.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -67.06 -33.7 76.07 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.04 -35.49 80.68 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.963 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -68.8 -42.71 76.94 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.649 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.12 -47.56 76.7 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.401 0.144 . . . . 0.0 110.843 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.2 -36.18 79.19 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.67 0.271 . . . . 0.0 110.665 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 m -66.88 -49.66 64.93 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.69 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -63.32 -32.43 73.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.8 m -54.22 -41.15 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.629 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -63.65 -23.11 67.24 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.593 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 p -62.84 -25.96 68.52 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 120.55 0.214 . . . . 0.0 110.734 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -93.9 -28.81 15.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.199 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.71 -6.35 52.15 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.12 10.91 43.15 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.545 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -70.87 97.21 1.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -123.51 80.89 54.06 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.05 -16.09 10.07 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.633 2.222 . . . . 0.0 113.133 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.69 76.55 9.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.951 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.8 p -79.39 137.47 37.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.33 133.87 47.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.378 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -105.65 8.45 33.11 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.194 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.427 ' C ' ' H ' ' A' ' 101' ' ' SER . 8.2 m95 -58.61 146.39 73.93 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.3 26.93 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.36 0 C-N-CA 123.075 2.516 . . . . 0.0 112.918 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 99' ' ' TRP . 59.4 m -162.17 24.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.615 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.1 t -140.48 170.57 15.54 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.099 0.476 . . . . 0.0 111.186 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.0 tp-100 -166.53 27.29 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.438 173.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.93 151.78 38.86 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -128.49 129.74 46.5 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -118.09 160.72 21.05 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.988 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.52 -2.77 35.01 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -131.95 139.57 48.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.669 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.9 t -57.13 -47.47 81.05 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.59 -33.36 75.73 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.583 0.353 . . . . 0.0 111.857 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.48 -40.99 93.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.834 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -69.77 -40.55 76.0 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.172 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 m -60.13 -41.55 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.54 -46.52 79.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.664 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.38 -45.03 80.72 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.643 0.258 . . . . 0.0 111.015 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.76 -34.22 69.32 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.0 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -72.41 -15.65 61.84 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.243 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.0 mtt -75.34 -19.0 59.86 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 120.407 0.146 . . . . 0.0 110.918 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 . . . . . 0 C--N 1.347 0.497 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 177.624 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 120.557 0.217 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -136.06 158.82 43.49 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.052 0.453 . . . . 0.0 111.52 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.43 155.84 21.65 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.107 169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.13 5.75 20.3 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.732 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 13.4 t80 -97.21 125.46 45.61 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.608 0.242 . . . . 0.0 110.81 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -71.51 83.66 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.635 2.223 . . . . 0.0 112.261 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.46 -17.44 0.43 Allowed Glycine 0 CA--C 1.539 1.587 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.342 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 28.9 t -88.65 -171.75 3.45 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.205 0.526 . . . . 0.0 110.959 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 8.5 m-80 -61.19 -36.23 79.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.171 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.65 6.35 5.79 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.778 0.431 . . . . 0.0 110.966 -174.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -146.34 144.49 29.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.759 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CE1' ' CD2' ' A' ' 27' ' ' HIS . 32.6 m-85 -144.81 169.99 16.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.291 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -117.44 -15.76 10.27 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 40.4 mmtm -131.14 123.88 29.52 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.689 0.281 . . . . 0.0 110.621 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.3 tp -49.03 -49.12 42.69 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 p -68.11 -46.03 72.07 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.013 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.18 -30.76 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 -177.761 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -39.04 65.34 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.151 170.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -43.62 87.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -45.34 93.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 38.0 t60 -57.79 -34.1 69.24 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.612 0.244 . . . . 0.0 111.161 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -58.71 -34.39 71.27 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -54.76 -38.13 66.84 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.506 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 37.8 ttpt -56.41 -47.52 78.85 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.799 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.7 m-70 -89.87 -21.43 22.53 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -14.49 41.42 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.485 0.183 . . . . 0.0 111.087 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.41 5.06 33.24 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 116.411 -0.358 . . . . 0.0 112.412 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.12 -46.26 3.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.457 0.303 . . . . 0.0 110.872 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.24 90.77 25.45 Favored Pre-proline 0 N--CA 1.472 0.651 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.74 162.29 29.97 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.566 2.178 . . . . 0.0 112.59 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.02 171.33 10.82 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.708 169.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -132.47 152.0 51.69 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 t -54.87 134.29 48.21 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -99.29 9.77 42.71 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.41 163.18 21.4 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.065 0.46 . . . . 0.0 111.137 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -69.05 -27.67 65.85 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.422 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -140.57 71.55 1.37 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 120.892 0.377 . . . . 0.0 110.726 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.8 170.83 21.18 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.382 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -157.29 28.51 0.29 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.712 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -83.92 154.62 23.28 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -123.27 150.72 43.15 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 90.6 m-85 -132.45 164.69 26.0 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.603 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -104.65 -1.92 25.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.583 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -153.96 152.98 31.19 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 t -57.75 -34.14 69.22 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.002 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.0 -42.53 80.57 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.975 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.53 -42.94 99.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 110.382 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.18 -47.88 78.12 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.036 176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -63.32 -39.4 94.45 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 120.396 0.141 . . . . 0.0 111.068 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -58.89 -45.92 89.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 171.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.6 t60 -60.65 -41.43 94.96 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.74 -38.44 64.38 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.162 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -57.67 -33.25 68.14 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 122.429 -0.17 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -62.69 -38.13 89.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.466 0.175 . . . . 0.0 111.106 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -81.2 -39.85 24.77 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.9 p -80.01 -21.82 43.15 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.28 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.76 10.62 86.03 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 121.489 -0.386 . . . . 0.0 112.313 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.42 102.28 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.939 0.4 . . . . 0.0 110.799 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -119.75 81.05 25.04 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.22 -19.58 7.87 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.701 2.267 . . . . 0.0 113.042 -171.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.08 75.22 6.84 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.685 0.278 . . . . 0.0 110.545 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -91.12 129.81 37.08 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.941 0.4 . . . . 0.0 111.298 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.71 129.35 39.48 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.754 173.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -90.49 -5.21 56.31 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -48.89 12.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 174.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 24.3 p -108.32 -104.38 0.36 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 171.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -163.0 6.39 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 175.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -62.12 120.04 10.11 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.661 -170.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -97.87 122.55 41.12 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 157.39 23.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 p -106.21 0.81 25.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -137.64 129.12 28.15 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.636 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 p -62.29 -26.99 68.71 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.284 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.76 -36.01 79.74 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.632 0.253 . . . . 0.0 111.132 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -76.81 -37.79 55.08 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.669 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.35 0.119 . . . . 0.0 110.716 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.92 -40.07 94.21 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.692 0.282 . . . . 0.0 110.625 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.0 m -61.77 -49.7 75.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.571 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -65.11 -34.73 79.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -57.72 -41.58 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.434 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -71.8 -22.87 61.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.791 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -30.1 71.05 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.775 170.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -89.59 -18.67 26.12 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.561 0.219 . . . . 0.0 110.809 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -95.41 -6.14 41.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.163 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.8 2.03 34.95 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.794 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.56 105.68 3.2 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.903 0.383 . . . . 0.0 111.032 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.84 85.71 45.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.06 -9.21 7.5 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.707 2.271 . . . . 0.0 113.347 -173.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -90.44 79.14 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 t -78.73 145.98 34.15 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.678 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.3 t -70.29 161.26 30.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 171.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -127.54 8.05 6.4 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -67.32 148.37 98.74 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.696 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.68 33.36 0.37 Allowed 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.216 2.611 . . . . 0.0 113.131 -172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.4 p -164.47 7.94 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.389 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 17.7 t -101.62 171.52 7.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.423 0.63 . . . . 0.0 111.639 -171.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.473 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.93 22.7 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.041 -178.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -102.61 146.96 27.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.589 -173.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -128.56 149.58 50.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.008 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.82 162.24 27.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.667 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.58 -3.0 40.48 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -134.02 141.54 47.27 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.831 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.9 p -57.19 -48.49 78.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.431 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.02 -33.5 75.89 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.665 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.69 -44.34 96.67 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.61 -39.39 91.46 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.991 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.28 -45.07 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.28 -46.69 87.65 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.526 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -54.45 -50.02 68.69 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.51 0.195 . . . . 0.0 110.75 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -56.69 -38.63 72.53 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.886 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -17.96 63.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.109 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -107.04 3.42 25.9 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 122.411 0.284 . . . . 0.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.343 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.051 -172.249 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 92.1 m-85 . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.6 mtp -136.4 157.0 47.83 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.296 169.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.0 t -76.63 151.85 36.06 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.148 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.53 -1.22 38.87 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.673 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.42 125.43 82.99 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-O 120.423 0.154 . . . . 0.0 110.743 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.89 -26.34 57.36 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 122.802 2.335 . . . . 0.0 113.484 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.64 1.45 85.59 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.649 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -133.09 -80.89 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.43 0.292 . . . . 0.0 110.608 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 51.76 32.21 9.19 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.313 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.86 168.5 16.04 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.378 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 159.12 15.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.317 0.579 . . . . 0.0 111.621 -172.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.79 170.15 16.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.973 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -121.63 -46.36 2.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.301 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -91.9 117.62 29.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.416 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.0 pt? -50.66 -41.89 55.96 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.043 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 p -68.08 -45.91 72.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.638 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -30.85 71.9 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.569 0.223 . . . . 0.0 110.426 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -39.75 65.51 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -58.07 -39.29 78.14 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.41 81.45 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.763 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -57.94 -37.47 74.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.724 0.297 . . . . 0.0 110.584 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.08 -34.68 72.26 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.746 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -55.44 -38.38 68.94 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.525 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -56.25 -43.97 79.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 44.5 m-70 -76.31 -21.3 56.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.678 -172.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.2 p -57.14 -26.85 61.22 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.465 0.174 . . . . 0.0 111.021 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.22 11.24 58.49 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.477 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -121.58 2.99 10.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.365 0.266 . . . . 0.0 111.415 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -69.81 112.88 13.74 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -75.96 120.29 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -127.4 158.42 37.37 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 170.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -132.6 157.72 44.05 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.735 0.303 . . . . 0.0 110.698 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' SG ' ' HE1' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -77.47 148.79 35.18 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.023 175.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.13 -15.09 29.98 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' A' ' 61' ' ' HIS . 3.6 m-85 -67.98 126.34 29.16 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.68 66.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.088 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.71 -5.5 56.96 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.4 t -104.68 -77.37 0.58 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.637 0.256 . . . . 0.0 110.578 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 51.01 34.13 10.18 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 122.854 0.461 . . . . 0.0 111.71 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.69 169.57 11.55 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 170.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 150.4 51.68 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 111.046 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -135.45 161.35 35.7 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.284 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 p -107.42 4.94 26.81 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -174.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.98 147.96 27.8 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.984 0.421 . . . . 0.0 110.875 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -42.55 77.37 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -63.06 -39.77 95.72 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.31 -49.42 77.11 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.49 -40.45 97.11 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -65.62 -44.16 87.36 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.494 0.318 . . . . 0.0 111.282 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -61.64 -43.32 99.07 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.65 -36.4 78.59 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.242 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -53.08 -33.53 52.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.284 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -54.94 -33.12 61.93 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 120.421 0.153 . . . . 0.0 110.626 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -62.61 -33.63 75.4 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.496 0.318 . . . . 0.0 111.658 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.49 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.7 m80 -82.83 -44.07 15.91 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -81.25 -22.95 38.35 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.418 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 0.55 28.73 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 121.539 -0.362 . . . . 0.0 112.305 -175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.24 127.3 30.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -124.37 87.17 54.25 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.52 -16.87 9.07 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.522 2.148 . . . . 0.0 112.972 -170.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -90.0 90.39 8.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.576 0.226 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.33 141.44 28.76 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.65 146.17 55.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -79.25 -14.95 58.71 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -75.0 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -172.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -83.4 -6.63 59.52 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.615 0.245 . . . . 0.0 111.35 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 65.05 16.09 10.37 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.738 0.415 . . . . 0.0 111.374 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -68.86 141.33 55.12 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -99.23 139.92 34.16 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.061 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -130.49 155.07 47.08 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.12 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 p -98.17 -8.95 26.53 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.627 -174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -135.21 137.02 42.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 p -61.96 -31.53 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.166 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -66.84 -36.47 82.4 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.164 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -77.04 -34.75 57.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.893 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.6 -47.72 74.75 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.569 0.223 . . . . 0.0 110.535 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -34.34 76.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.541 0.21 . . . . 0.0 110.539 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -66.53 -49.48 66.37 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.754 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -65.55 -29.89 70.57 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.007 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -54.33 -41.27 68.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.492 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.99 -26.69 68.37 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.114 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -65.28 -37.2 86.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.482 0.182 . . . . 0.0 110.806 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -84.76 -20.36 31.18 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.805 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.194 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 18.35 55.38 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 121.41 -0.424 . . . . 0.0 112.358 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.88 104.96 15.29 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.87 81.43 49.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.61 -20.98 4.44 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.663 2.242 . . . . 0.0 112.924 -175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -78.66 77.44 5.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.028 0.442 . . . . 0.0 110.725 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 m -80.36 146.04 31.73 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.3 t -71.75 161.25 31.26 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.146 0.498 . . . . 0.0 110.927 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.26 0.29 10.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.982 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -65.08 156.3 81.2 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 120.915 0.388 . . . . 0.0 111.006 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.02 122.95 11.96 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t 66.35 19.02 10.98 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.909 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.9 t -86.37 170.63 11.84 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.827 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -164.6 21.86 0.06 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.459 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 2.3 mppt? -89.34 139.92 30.02 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 -175.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -128.55 148.57 50.77 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -134.29 159.07 42.12 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.905 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.56 -2.04 45.8 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -132.22 141.13 48.93 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.147 0.499 . . . . 0.0 110.847 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.5 p -57.26 -47.58 81.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.659 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.409 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.65 -41.44 95.0 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 173.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.26 -41.07 86.17 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.922 175.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.19 -43.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.156 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.57 -46.62 87.49 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -54.49 -50.09 68.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -56.6 -39.18 73.13 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.847 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -15.59 63.24 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.518 0.199 . . . . 0.0 111.174 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.8 mtt -111.89 4.76 18.5 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.417 0.287 . . . . 0.0 110.915 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.709 0.29 . . . . 0.0 110.977 -173.162 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -136.39 158.65 43.92 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.8 t -108.65 135.82 49.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.68 59.53 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.705 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 36.5 t80 -72.71 126.7 90.58 Favored Pre-proline 0 CA--C 1.554 1.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.689 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.46 -12.17 31.12 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.722 2.281 . . . . 0.0 113.203 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.48 -5.55 61.68 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 121.442 -0.408 . . . . 0.0 112.413 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 48.9 t -89.12 175.62 7.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.164 0.506 . . . . 0.0 111.264 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -72.47 -24.15 61.14 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.44 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt 72.47 20.69 3.88 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.521 0.728 . . . . 0.0 111.34 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -139.04 141.02 38.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.105 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 34.9 m-85 -144.96 170.1 16.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.974 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -113.36 -33.89 5.79 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.514 -175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 74.2 mmtt -112.48 131.17 55.71 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.725 0.297 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.47 -51.83 51.71 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.981 178.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.425 ' H ' HD22 ' A' ' 21' ' ' LEU . 20.7 p -68.11 -45.99 72.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.753 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.37 -30.11 71.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -42.33 62.55 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.119 169.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -58.01 -39.01 77.26 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.637 0.256 . . . . 0.0 110.407 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -44.34 76.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 20.2 t60 -57.91 -38.65 76.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.816 0.341 . . . . 0.0 110.955 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -58.9 -34.4 71.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.05 64.06 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -56.07 -47.43 77.98 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.63 0.252 . . . . 0.0 110.92 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 33.9 m-70 -68.73 -20.93 64.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -172.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -59.05 -14.98 11.29 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 120.603 0.24 . . . . 0.0 111.108 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 6.64 54.35 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.377 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -133.21 6.65 3.88 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -109.44 86.49 4.39 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-O 120.605 0.241 . . . . 0.0 110.75 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.59 92.12 1.16 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.547 2.164 . . . . 0.0 113.188 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -68.6 172.48 6.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.43 155.65 48.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.627 0.251 . . . . 0.0 110.496 174.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.77 143.6 46.6 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -86.6 -8.51 57.43 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -68.6 122.7 19.04 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.859 0.362 . . . . 0.0 110.427 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -63.72 -9.41 14.14 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -169.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.7 7.67 12.59 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 122.163 0.185 . . . . 0.0 111.382 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 43.2 t -101.37 172.95 6.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.096 0.474 . . . . 0.0 111.006 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -153.1 28.8 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.61 161.22 14.67 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.916 0.389 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -142.64 145.51 33.55 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 61.4 m-85 -137.0 139.57 41.53 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.033 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -74.58 -19.18 60.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -174.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -129.8 152.98 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.039 0.447 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 p -62.59 -28.8 70.14 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.703 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -67.57 -42.9 81.84 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 120.703 0.287 . . . . 0.0 111.119 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.48 -44.73 90.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.361 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.19 -43.74 98.16 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.826 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.48 -45.2 94.1 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.845 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -56.55 -47.5 79.34 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 t60 -60.55 -41.78 95.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -177.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -53.33 -38.71 63.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.981 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -56.87 -33.41 66.8 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.225 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -31.56 70.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.53 -43.26 18.99 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.493 0.187 . . . . 0.0 111.137 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -84.76 -5.89 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.0 10.21 67.93 Favored Glycine 0 CA--C 1.545 1.924 0 C-N-CA 121.669 -0.3 . . . . 0.0 112.981 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.54 114.05 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 120.824 0.345 . . . . 0.0 110.797 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -116.88 87.68 23.03 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.194 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -87.59 -19.26 2.32 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.646 2.231 . . . . 0.0 113.169 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.6 98.96 9.27 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -97.99 135.0 40.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.8 132.7 50.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.381 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -69.73 -18.44 63.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 -73.53 0.56 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.93 -5.33 58.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 66.02 17.63 10.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.748 0.419 . . . . 0.0 111.489 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -72.4 146.32 47.08 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -109.64 138.74 45.56 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.099 0.476 . . . . 0.0 111.223 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.56 160.63 32.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.181 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 p -103.73 -0.73 29.02 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -138.73 139.4 38.35 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 110.712 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 p -66.41 -36.14 82.07 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.17 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -67.16 -35.24 79.27 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -68.59 -45.4 72.09 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.566 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.62 -47.61 80.69 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.818 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.97 -39.5 89.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.699 0.285 . . . . 0.0 110.571 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -64.72 -49.88 69.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.65 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -63.08 -38.98 93.32 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.862 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.34 -41.66 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -68.43 -22.9 64.57 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.303 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 p -59.43 -32.39 70.16 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.334 0.111 . . . . 0.0 110.797 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -78.44 -18.7 54.55 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.564 0.221 . . . . 0.0 110.944 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.0 p -96.3 -6.25 38.26 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.485 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.92 40.72 Favored Glycine 0 CA--C 1.554 2.522 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.857 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.41 103.9 2.57 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -121.1 83.69 38.73 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -85.51 -15.8 5.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.72 2.28 . . . . 0.0 112.988 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -83.59 78.32 9.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.927 0.394 . . . . 0.0 110.741 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.8 p -78.79 138.24 38.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.765 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.6 t -70.44 133.11 46.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.41 -0.7 57.67 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.522 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -67.72 122.42 83.43 Favored Pre-proline 0 CA--C 1.557 1.221 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.08 -50.91 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.75 2.3 . . . . 0.0 112.735 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -79.99 53.53 1.72 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.906 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 104' ' ' LYS . 5.0 t -168.25 -80.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 -178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 52.99 39.61 29.71 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.43 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -74.18 168.89 18.68 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 172.135 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -128.81 142.36 51.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.717 0.294 . . . . 0.0 110.918 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.03 157.82 40.63 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.37 -1.86 43.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.271 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -134.86 142.27 46.57 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.182 0.515 . . . . 0.0 110.942 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 p -57.27 -46.48 83.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -66.38 -33.58 76.03 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.559 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -60.63 -44.39 96.41 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.97 174.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.24 -46.39 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.41 -46.75 88.84 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.513 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -54.74 -49.28 71.18 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.42 -37.77 73.3 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.065 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -72.23 -15.7 61.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.492 0.187 . . . . 0.0 111.124 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.1 mtp -102.01 -1.67 31.28 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.019 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.599 0.238 . . . . 0.0 111.146 -171.331 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.708 0.289 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.35 150.39 48.82 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 168.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -66.4 146.18 54.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.169 0.509 . . . . 0.0 111.304 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.91 -4.46 56.52 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.639 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -79.17 134.37 59.43 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.07 145.95 68.98 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.543 2.162 . . . . 0.0 112.204 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.42 -38.81 2.89 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.068 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 -81.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.679 0.276 . . . . 0.0 110.403 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.05 35.94 1.81 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.441 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.63 160.35 29.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 153.83 18.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.297 0.57 . . . . 0.0 111.63 -169.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.433 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 85.4 m-85 -144.85 163.87 32.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.935 -175.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -115.95 -28.41 6.66 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.396 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 7.8 mmpt? -113.01 124.77 53.4 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.675 0.274 . . . . 0.0 110.666 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -49.22 43.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.902 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -67.85 -45.79 73.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.715 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.436 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.0 -31.28 72.38 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.667 0.27 . . . . 0.0 110.481 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -40.76 64.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.028 170.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.29 -38.61 77.37 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.54 89.11 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.691 173.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 52.6 t60 -58.05 -39.33 78.16 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.288 -0.258 . . . . 0.0 110.672 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -59.24 -34.62 72.44 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.534 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -38.24 69.03 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.2 -39.24 72.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.52 0.2 . . . . 0.0 111.048 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -68.35 -21.08 64.75 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.5 p -61.29 -10.47 7.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.044 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.51 12.17 36.02 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -122.17 -50.19 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.805 0.303 . . . . 0.0 111.706 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -46.65 112.47 1.89 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 123.119 0.262 . . . . 0.0 111.572 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.89 81.91 2.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.825 2.35 . . . . 0.0 112.713 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -87.63 93.07 9.32 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.52 144.4 26.06 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.747 0.308 . . . . 0.0 110.727 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 145.43 56.11 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.703 174.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -73.77 -21.49 60.17 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 13.9 m-85 -70.12 129.89 40.63 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.775 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -72.45 -12.22 61.0 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.37 -10.81 39.81 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.025 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.49 -72.95 0.58 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.745 0.307 . . . . 0.0 110.433 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 57.31 16.2 3.0 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 123.0 0.52 . . . . 0.0 111.986 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -84.87 146.28 27.38 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.06 148.24 43.82 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.46 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 43.5 m-85 -127.44 164.67 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.723 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -98.53 -7.62 27.99 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -173.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -138.98 154.35 48.27 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.942 0.401 . . . . 0.0 111.108 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.7 p -61.02 -39.94 91.68 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.139 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -68.48 -34.04 75.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.156 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.37 -45.29 66.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.515 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.64 -47.5 85.96 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 171.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -60.95 -41.65 96.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.105 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -60.37 -47.79 84.55 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 17.8 t60 -60.78 -40.97 94.61 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.076 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.03 -37.01 61.17 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' NH2' ' H ' ' A' ' 64' ' ' VAL . 68.2 mtp85 -55.08 -33.03 62.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -55.77 -31.7 62.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 120.478 0.18 . . . . 0.0 110.849 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 79.9 m-70 -98.03 -33.06 11.32 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.357 176.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 t -148.0 61.5 1.12 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 111.182 -169.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.35 -177.09 33.15 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.116 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 ' H ' ' NH2' ' A' ' 59' ' ' ARG . 26.9 m -132.19 -168.85 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 122.444 0.298 . . . . 0.0 110.542 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -114.87 83.18 9.06 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.718 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.5 -20.56 5.72 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.858 2.372 . . . . 0.0 113.115 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -78.47 88.98 4.43 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -99.79 135.14 41.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.777 0.322 . . . . 0.0 111.001 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.75 131.1 45.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.473 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -69.82 -17.24 63.38 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -75.26 0.47 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.558 0.343 . . . . 0.0 111.03 -175.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.79 -5.46 55.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.223 0.209 . . . . 0.0 111.489 -173.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 68.09 20.7 8.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.849 0.459 . . . . 0.0 111.422 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.29 140.73 58.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 169.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -113.13 140.97 47.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 110.823 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -136.81 158.19 45.02 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.389 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 p -107.79 3.0 24.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -138.81 134.31 33.24 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 110.412 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -68.92 -31.83 71.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.09 -36.26 82.71 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 120.466 0.174 . . . . 0.0 110.83 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -67.98 -45.3 74.54 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.67 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.13 -47.69 81.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.505 0.193 . . . . 0.0 110.82 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.92 -34.42 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 0.0 110.636 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 m -67.77 -49.59 61.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.738 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -61.67 -34.06 75.07 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.871 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 m -54.27 -41.13 68.5 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -62.03 -22.77 65.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.162 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 m -54.5 -37.36 65.22 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.66 0.267 . . . . 0.0 110.878 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -89.54 -24.31 21.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.32 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -91.63 -6.42 52.25 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.4 8.8 52.86 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.694 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.01 98.14 1.25 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.977 0.389 . . . . 0.0 110.808 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -119.93 78.51 23.93 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -83.54 -14.32 8.0 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.751 2.3 . . . . 0.0 113.14 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.05 76.65 10.23 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.853 0.359 . . . . 0.0 110.652 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 48.7 p -84.18 146.0 28.07 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.859 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.39 161.35 30.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.275 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.52 1.47 10.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.182 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -67.63 156.16 89.56 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.95 125.44 17.18 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.737 2.292 . . . . 0.0 112.359 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.8 t 62.94 20.93 12.57 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.058 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -118.84 157.14 28.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.365 0.602 . . . . 0.0 111.191 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -162.17 29.95 0.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.95 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -63.91 136.2 57.16 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 29.5 mtmt -112.08 147.99 34.86 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 111.56 -169.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -134.19 160.83 36.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.537 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.92 3.15 44.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -136.11 140.87 44.03 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.119 0.485 . . . . 0.0 110.792 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 p -57.14 -49.92 74.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.503 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.21 -33.66 75.96 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.73 -43.77 97.49 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -66.23 -40.03 89.99 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.031 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.21 -44.27 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.35 -46.66 87.66 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.645 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -54.38 -49.43 69.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.656 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.82 -39.57 74.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -72.05 -15.56 62.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.506 0.193 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -107.03 5.91 28.5 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.857 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.369 0 CA-C-O 120.72 0.295 . . . . 0.0 111.074 -173.025 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 120.708 0.289 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -136.43 156.76 48.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.62 143.86 53.13 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.3 -4.82 56.89 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.78 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 63.4 t80 -79.09 118.27 71.51 Favored Pre-proline 0 N--CA 1.478 0.972 0 O-C-N 122.392 -0.192 . . . . 0.0 110.649 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.47 101.88 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.624 2.216 . . . . 0.0 111.973 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.02 -38.02 1.83 Allowed Glycine 0 N--CA 1.468 0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.61 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.7 t -85.91 -81.89 0.2 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.0 m120 50.64 31.84 6.22 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 169.44 18.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.103 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -98.64 151.92 20.18 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -137.24 166.47 23.69 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.736 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.91 -41.33 2.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.212 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -94.26 118.71 31.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.501 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.79 -46.13 20.44 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.824 0.345 . . . . 0.0 110.817 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -67.9 -46.01 72.81 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.688 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.84 -29.49 70.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.565 0.222 . . . . 0.0 110.575 -178.053 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -39.57 65.62 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.96 169.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -40.83 82.32 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.38 -48.22 82.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.776 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.04 -38.57 76.5 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.682 0.277 . . . . 0.0 110.823 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 p -59.01 -32.48 69.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -38.2 68.11 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.398 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.2 -45.74 79.71 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.576 0.227 . . . . 0.0 110.815 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.3 m-70 -76.26 -21.28 56.51 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -172.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 p -55.71 -24.53 35.09 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 120.498 0.19 . . . . 0.0 111.086 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 18.08 35.2 Favored Glycine 0 CA--C 1.541 1.69 0 CA-C-N 116.538 -0.301 . . . . 0.0 112.402 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -124.94 5.05 8.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.788 0.294 . . . . 0.0 111.381 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.37 107.45 23.69 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.59 137.05 22.17 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.398 2.066 . . . . 0.0 113.162 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 71.6 m-85 -129.25 165.12 22.03 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.51 150.15 52.2 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -63.55 143.91 57.44 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.66 -2.55 35.18 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.0 131.16 49.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.89 0.376 . . . . 0.0 110.3 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -72.0 4.17 3.7 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.204 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -132.4 12.29 4.55 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 122.167 0.187 . . . . 0.0 111.108 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 46.3 t -103.08 173.85 6.12 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.108 0.48 . . . . 0.0 110.815 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -160.49 28.91 0.16 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 152.66 25.51 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.157 0.503 . . . . 0.0 110.802 -173.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.05 148.01 49.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.751 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.2 m-85 -126.64 164.81 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.146 -173.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 t -108.97 7.25 25.82 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.453 -175.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -153.01 149.78 28.53 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.7 p -58.68 -41.21 85.65 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.99 -39.01 93.16 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -61.4 -49.32 77.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.64 0.257 . . . . 0.0 110.374 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.7 tp -62.12 -45.4 93.65 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.96 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.97 -40.55 93.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.165 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -68.22 -41.2 81.61 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.563 0.22 . . . . 0.0 110.487 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 46.0 t60 -60.71 -37.78 82.84 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.916 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -53.34 -34.71 58.61 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.344 0.257 . . . . 0.0 111.334 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -55.06 -33.22 62.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.564 0.221 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -60.36 -31.9 70.78 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.584 0.354 . . . . 0.0 111.664 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -97.81 -36.45 10.19 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.604 0.24 . . . . 0.0 111.244 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -79.16 -31.3 43.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.08 -1.27 60.21 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 121.715 -0.278 . . . . 0.0 112.843 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.34 137.28 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-O 121.03 0.443 . . . . 0.0 110.958 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -131.05 81.48 66.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.344 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -79.17 -16.35 12.36 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.596 2.197 . . . . 0.0 113.279 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -90.11 97.83 11.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.51 137.25 41.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.127 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.9 t -65.01 138.7 58.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.81 -19.7 62.65 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -99.09 -75.38 0.56 Allowed 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.318 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.5 p -80.16 -7.37 58.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.492 0.317 . . . . 0.0 111.359 -175.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 64.25 21.25 12.47 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.406 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -71.97 141.14 49.4 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.1 142.18 40.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.061 0.458 . . . . 0.0 111.182 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.02 163.53 29.03 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 m -109.13 1.9 20.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.64 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -138.83 132.9 31.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.833 0.349 . . . . 0.0 110.617 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 p -63.34 -34.0 76.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.54 -38.38 90.92 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 120.652 0.263 . . . . 0.0 111.023 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -74.97 -35.3 62.07 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.992 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 tt -65.46 -47.68 75.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -61.1 -38.93 88.04 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.764 0.316 . . . . 0.0 110.469 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.2 m -64.08 -49.46 72.18 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -61.41 -36.73 81.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.92 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -54.36 -41.24 68.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.753 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.69 -22.94 67.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -60.21 -27.07 66.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.574 0.226 . . . . 0.0 110.729 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -93.53 -26.21 17.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.211 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -91.68 -6.35 52.22 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.19 10.49 41.33 Favored Glycine 0 CA--C 1.549 2.173 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.518 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.76 100.14 1.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.005 0.431 . . . . 0.0 110.799 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.29 82.41 45.69 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.503 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -84.78 -15.51 5.87 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.734 2.29 . . . . 0.0 113.003 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -85.98 79.62 9.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -83.75 143.73 29.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.6 t -70.35 157.71 37.27 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.087 169.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -135.54 16.18 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.189 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.43 ' C ' ' H ' ' A' ' 101' ' ' SER . 6.6 m95 -56.78 153.22 23.17 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.531 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.48 22.67 0.23 Allowed 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 122.934 2.422 . . . . 0.0 113.179 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.43 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.2 m -163.22 27.73 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.707 176.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.41 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 32.2 t -143.26 164.64 29.66 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.239 0.542 . . . . 0.0 111.608 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.64 27.42 0.1 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.019 170.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.41 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 41.1 mtmt -73.69 154.83 39.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.165 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.54 148.22 50.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.032 0.444 . . . . 0.0 111.56 -170.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -133.41 159.09 41.36 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.583 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.3 2.14 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -135.49 141.59 45.33 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.155 0.502 . . . . 0.0 110.917 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -57.42 -49.77 75.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.625 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.7 -33.68 76.18 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.518 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.6 -43.92 96.86 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.06 -39.64 90.25 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.039 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.18 -46.43 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 120.738 0.304 . . . . 0.0 110.193 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.64 -46.47 88.08 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.661 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -55.8 -48.0 76.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -56.66 -33.73 66.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.535 0.207 . . . . 0.0 110.685 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -17.53 63.27 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.329 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.41 -19.48 59.49 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.501 0.191 . . . . 0.0 110.932 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.345 0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 110.455 178.106 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 92.7 m-85 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.678 0.275 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.51 154.97 50.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -65.67 142.29 58.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.896 0.379 . . . . 0.0 111.192 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.94 4.16 47.28 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.725 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -69.01 123.8 88.96 Favored Pre-proline 0 CA--C 1.546 0.801 0 O-C-N 122.451 -0.155 . . . . 0.0 110.795 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.44 99.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.407 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.85 -30.98 4.25 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.035 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 t -81.06 171.27 15.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.31 0.576 . . . . 0.0 110.815 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 23.68 0.05 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.275 175.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -74.89 139.03 42.84 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -175.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -98.78 152.51 19.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.767 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -142.04 167.75 21.37 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 -174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -116.68 -42.46 2.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.794 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -90.38 119.88 31.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.504 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 40.5 tp -47.34 -43.93 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 172.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 p -68.09 -46.27 71.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.295 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -29.28 67.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.262 -177.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -38.94 65.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 169.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -58.02 -39.99 79.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 174.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -46.84 85.96 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -58.06 -39.05 77.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 120.722 0.296 . . . . 0.0 110.436 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p -59.25 -34.7 72.54 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -55.76 -38.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -39.82 73.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.607 0.241 . . . . 0.0 110.469 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -81.22 -22.59 38.68 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.825 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -61.69 -22.5 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.437 0.161 . . . . 0.0 110.611 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.23 18.53 38.95 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.281 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.18 -41.32 3.52 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.716 0.258 . . . . 0.0 111.325 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -43.45 106.7 0.51 Allowed Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.907 0.483 . . . . 0.0 111.568 -173.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.43 95.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.766 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -88.99 172.26 9.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -129.37 152.87 48.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.0 170.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.7 136.24 17.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.71 -9.96 59.06 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.246 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.67 117.61 12.41 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.815 0.341 . . . . 0.0 110.297 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -60.32 -15.15 22.75 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -170.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -109.21 9.52 25.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 122.168 0.187 . . . . 0.0 111.353 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.423 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 45.8 t -108.07 156.69 18.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.15 0.5 . . . . 0.0 111.005 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -132.33 19.89 4.39 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.839 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -82.63 135.55 35.02 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.739 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -119.23 145.02 46.41 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.786 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.3 m-85 -130.68 139.4 50.32 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.394 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -89.82 3.14 53.84 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -144.92 143.27 30.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.128 0.49 . . . . 0.0 110.998 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -40.98 82.39 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.309 -175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -33.94 73.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -41.47 81.71 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.567 0.222 . . . . 0.0 110.525 176.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.98 -47.52 86.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 171.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -60.42 -33.6 72.75 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.065 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.62 -44.42 70.7 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.552 172.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.66 -36.63 79.18 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.948 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -53.02 -38.2 62.17 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -55.31 -33.33 63.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.426 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -31.8 73.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 120.385 0.136 . . . . 0.0 111.341 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -92.8 -34.74 13.75 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.634 0.254 . . . . 0.0 111.108 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -83.1 -28.61 29.36 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.318 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.01 -5.38 41.26 Favored Glycine 0 CA--C 1.545 1.967 0 C-N-CA 121.719 -0.277 . . . . 0.0 113.056 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.43 143.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-O 121.153 0.501 . . . . 0.0 111.011 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -134.33 79.78 54.12 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.292 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.77 -21.37 11.22 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.714 2.276 . . . . 0.0 113.395 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -82.51 97.12 8.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -97.21 136.78 37.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.689 0.28 . . . . 0.0 111.065 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.77 136.15 56.59 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -67.32 -22.65 65.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.34 -76.12 0.53 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.284 -169.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 -5.36 59.2 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.511 0.196 . . . . 0.0 111.323 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 64.62 23.65 12.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.724 0.41 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -64.68 164.49 11.93 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -130.0 135.88 48.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 111.05 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -130.29 162.54 28.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.372 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 m -108.82 6.1 25.18 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -140.33 130.35 24.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.754 0.312 . . . . 0.0 110.463 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.6 p -67.44 -32.18 72.86 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.51 -35.93 81.47 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.874 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.11 -44.06 73.21 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.669 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.08 -47.63 76.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.431 0.158 . . . . 0.0 110.827 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -63.73 -34.47 77.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.626 0.25 . . . . 0.0 110.568 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.6 m -65.73 -49.47 68.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.702 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -62.26 -34.35 76.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.949 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.7 m -55.4 -41.3 72.51 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.776 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -65.52 -23.12 66.8 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.279 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -69.07 -30.88 69.3 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 120.448 0.166 . . . . 0.0 110.875 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -88.2 -22.72 23.86 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.669 0.271 . . . . 0.0 110.772 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 m -91.8 -6.0 52.49 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 -175.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.23 13.02 52.73 Favored Glycine 0 CA--C 1.545 1.92 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.39 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.27 98.07 5.04 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.949 0.404 . . . . 0.0 110.702 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.53 82.56 33.09 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -85.78 -19.36 3.4 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 122.784 2.323 . . . . 0.0 112.963 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.45 78.79 5.95 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 110.804 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 m -82.82 145.24 29.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 36.8 t -70.4 144.22 51.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -111.43 5.25 19.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.145 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -59.04 146.75 76.46 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.564 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.54 48.15 2.06 Favored 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 123.019 2.479 . . . . 0.0 112.671 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -176.35 -22.65 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 22.4 t -86.06 171.88 11.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.475 0.655 . . . . 0.0 111.544 -173.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -162.02 26.74 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.133 175.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 151.52 35.59 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -128.62 147.92 50.76 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.846 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -133.08 159.57 39.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.722 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.89 0.65 46.99 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -136.88 139.62 41.76 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.76 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -58.29 -43.22 87.96 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.31 -33.77 75.98 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.487 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.76 -43.27 98.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.0 tp -65.3 -40.43 93.8 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.94 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.24 -44.71 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.25 -46.7 87.65 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.626 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -54.39 -49.32 70.16 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.66 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -57.61 -38.85 75.63 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.135 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -71.76 -15.6 62.18 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -106.94 4.78 27.61 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.345 0.392 0 CA-C-O 120.69 0.281 . . . . 0.0 110.956 -173.005 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.9 ptm -136.62 158.62 44.01 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.34 169.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 t -76.89 139.53 40.27 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.68 -1.95 57.85 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.761 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.37 128.77 81.71 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.15 -18.66 51.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.723 2.282 . . . . 0.0 113.22 -172.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.06 -2.65 85.83 Favored Glycine 0 CA--C 1.544 1.891 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.318 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.8 t -121.24 -78.23 0.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.511 0.325 . . . . 0.0 110.628 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.15 20.56 8.56 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.183 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.38 171.43 14.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 120.6 0.238 . . . . 0.0 110.529 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -106.46 156.68 18.3 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.168 0.509 . . . . 0.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -143.94 167.82 21.43 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.255 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.71 -44.85 3.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 76.5 tttt -97.23 122.18 39.96 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.581 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.2 tp -46.49 -47.03 19.4 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.658 0.265 . . . . 0.0 110.605 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -68.03 -45.94 72.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.874 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.91 -29.93 69.94 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.312 -177.597 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -39.18 65.74 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 169.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -42.25 84.93 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.72 -43.63 95.95 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.785 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.03 -35.71 71.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.516 0.198 . . . . 0.0 110.761 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -59.12 -35.01 72.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.764 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -55.72 -38.17 69.38 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.628 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -44.42 79.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.626 0.251 . . . . 0.0 110.679 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -72.57 -21.27 61.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -172.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -53.55 -41.64 66.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 49' ' ' SER . . . -55.72 -30.77 57.05 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.477 174.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -98.76 18.53 16.74 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.818 0.447 . . . . 0.0 111.506 -173.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -112.96 83.29 5.88 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-O 120.638 0.256 . . . . 0.0 110.487 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.63 88.82 1.26 Allowed 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.772 2.315 . . . . 0.0 112.799 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 10.9 m-85 -75.26 100.58 4.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.414 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 2.4 tt0 -88.01 144.86 26.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.61 148.38 42.62 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.923 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -102.94 -1.13 29.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.102 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -57.82 142.12 46.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.002 0.429 . . . . 0.0 110.717 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -12.08 43.02 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.074 -169.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -133.96 35.39 3.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.647 0.26 . . . . 0.0 111.029 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.39 164.62 26.72 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.166 0.508 . . . . 0.0 111.025 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -155.37 19.64 0.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.555 175.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.84 139.29 40.26 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -125.25 134.75 52.19 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -178.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -118.57 139.38 51.56 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 64.7 m -83.88 42.81 0.88 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.42 144.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 120.948 0.404 . . . . 0.0 110.667 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -60.28 -44.57 95.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.965 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.44 -33.98 77.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.214 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.65 -42.93 77.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -61.97 -45.02 95.5 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.549 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.89 -36.9 84.86 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.522 0.201 . . . . 0.0 111.106 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -64.21 -45.93 86.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.815 0.34 . . . . 0.0 110.149 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -60.76 -36.95 80.23 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.374 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.27 -33.72 54.28 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.177 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -55.06 -33.16 62.49 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.395 0.141 . . . . 0.0 110.777 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.67 -38.79 86.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.437 0.295 . . . . 0.0 111.368 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.12 -35.53 14.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.608 0.242 . . . . 0.0 111.169 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -78.39 -23.41 46.81 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.082 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.39 0.08 61.33 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 121.577 -0.344 . . . . 0.0 112.466 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.41 121.07 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.576 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.94 88.38 50.69 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.13 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.42 -18.17 7.2 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.537 2.158 . . . . 0.0 113.17 -170.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.93 92.55 8.33 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.18 134.04 34.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.689 0.28 . . . . 0.0 110.833 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.8 t -64.79 129.6 40.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 171.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.38 -20.26 63.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -72.64 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.1 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.37 -2.61 57.98 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -173.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 64.21 22.02 12.72 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.654 0.381 . . . . 0.0 111.419 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -65.66 163.44 16.38 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 170.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.6 135.19 53.82 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.852 0.358 . . . . 0.0 110.591 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.22 159.33 36.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.4 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 p -103.26 -3.24 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.344 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -138.09 132.09 31.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p -63.5 -35.21 79.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.82 -35.21 80.04 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.039 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -70.2 -42.98 71.63 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.36 -47.69 75.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.436 0.16 . . . . 0.0 110.715 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.657 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -65.18 -49.42 69.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.644 0.259 . . . . 0.0 110.665 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.33 -33.64 75.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -55.35 -41.34 72.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -64.98 -23.13 67.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.278 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 p -68.69 -32.6 72.53 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 120.417 0.151 . . . . 0.0 110.789 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -85.14 -24.2 28.09 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 120.645 0.26 . . . . 0.0 110.657 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 m -91.76 -6.19 52.27 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.169 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.56 14.95 52.14 Favored Glycine 0 CA--C 1.547 2.037 0 C-N-CA 121.527 -0.368 . . . . 0.0 112.492 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -78.84 101.02 7.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.895 0.379 . . . . 0.0 110.685 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -122.02 81.84 43.44 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.03 -15.56 5.55 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.73 2.287 . . . . 0.0 113.1 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.44 78.53 9.8 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.9 t -78.88 146.05 33.81 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 t -70.44 161.2 30.97 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.065 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.67 3.74 5.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.899 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -62.73 145.95 95.1 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.3 13.24 0.55 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.918 2.412 . . . . 0.0 113.128 -174.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -143.55 17.8 1.85 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.022 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.623 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 17.0 t -130.66 171.84 12.62 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.309 0.575 . . . . 0.0 111.391 -175.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -167.09 26.58 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.271 179.222 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.623 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.6 mppt? -88.01 156.02 19.52 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.8 0.333 . . . . 0.0 110.626 -176.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -128.57 147.96 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -131.99 159.01 39.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.763 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.39 -0.65 45.95 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.1 141.98 46.15 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 110.808 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.0 p -57.27 -49.36 76.31 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.606 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.43 -33.6 75.9 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.421 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.73 -43.83 97.41 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 173.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.76 -41.25 92.33 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.978 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.3 t -58.23 -47.31 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -62.01 -46.72 87.98 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.675 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.37 -47.58 81.28 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.957 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -56.82 -33.71 67.0 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.546 0.212 . . . . 0.0 110.842 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -15.79 63.64 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.216 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 80.5 mtp -84.01 -16.16 44.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.015 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.347 0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 176.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 C--O 1.214 -0.764 0 CA-C-O 120.633 0.254 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 ptm -136.57 155.69 49.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.76 125.96 25.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 111.011 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.84 9.13 36.62 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.54 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 76.0 t80 -67.13 135.76 93.85 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 175.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.76 88.86 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.418 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -31.26 2.43 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.856 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.2 t -78.32 177.66 8.28 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.274 0.559 . . . . 0.0 110.952 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -171.41 16.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.434 -178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 145.77 37.72 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.63 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 152.0 20.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.277 0.56 . . . . 0.0 111.364 -173.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -144.81 162.3 37.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.976 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -121.11 -22.32 6.14 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.4 mppt? -115.76 115.61 26.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.377 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 tp -45.75 -43.83 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 120.787 0.327 . . . . 0.0 111.018 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -68.09 -45.87 72.56 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.24 -29.43 70.22 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.74 0.305 . . . . 0.0 110.428 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -38.35 66.01 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 170.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.27 -38.6 80.52 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -49.31 78.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.623 173.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 120.689 0.28 . . . . 0.0 110.64 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -59.45 -35.3 73.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -38.6 70.79 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.763 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -57.02 -41.63 78.92 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.532 0.206 . . . . 0.0 110.707 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 13.6 m-70 -64.15 -21.12 66.43 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -173.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -52.16 -25.27 8.62 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.47 3.96 37.25 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.625 -0.321 . . . . 0.0 112.935 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.32 -43.14 34.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.138 0.469 . . . . 0.0 110.647 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -149.33 84.07 6.3 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.272 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.33 153.47 74.2 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.369 2.046 . . . . 0.0 112.141 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -74.45 175.35 7.82 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.499 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.4 157.87 43.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 170.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.49 131.76 24.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.94 -4.66 53.38 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -67.81 -22.23 65.18 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.134 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 70.63 -44.61 0.58 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 123.976 0.91 . . . . 0.0 111.671 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.75 -18.49 65.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.9 150.11 28.17 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.676 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 20.83 4.33 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.914 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -66.91 140.68 57.78 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.037 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -107.6 147.25 30.86 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 111.131 -172.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.6 m-85 -134.61 139.24 45.19 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.74 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p -85.54 -5.88 59.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.623 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -138.13 141.31 40.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.936 0.398 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -58.6 -37.72 76.45 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.039 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.51 -33.9 74.95 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.325 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -70.13 -35.24 73.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.5 0.19 . . . . 0.0 110.569 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.0 tp -67.91 -43.64 78.77 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.588 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -62.01 -39.77 93.4 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.702 0.287 . . . . 0.0 110.834 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -62.01 -47.44 84.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.257 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.3 t60 -60.77 -39.61 89.45 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -53.09 -38.43 62.55 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.543 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.44 63.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.112 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -55.83 -45.6 78.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.085 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -77.78 -24.25 48.96 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.185 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.0 p -74.93 -29.62 61.01 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.929 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.54 -7.95 29.67 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 116.531 -0.304 . . . . 0.0 112.503 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.82 137.31 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.958 0.409 . . . . 0.0 110.679 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.76 85.97 58.26 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.02 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.06 -20.03 10.35 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.74 2.293 . . . . 0.0 113.341 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.4 82.69 5.51 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.763 0.316 . . . . 0.0 110.401 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.19 127.72 36.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.202 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.423 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 42.3 t -68.8 131.53 45.3 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.45 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -77.17 -13.49 59.94 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.269 176.546 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.14 -70.54 0.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.314 0.246 . . . . 0.0 110.873 -174.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.84 0.38 57.48 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.388 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 61.13 29.71 19.0 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.526 0.33 . . . . 0.0 110.975 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.506 ' NH1' ' H ' ' A' ' 75' ' ' LYS . 8.0 mmm180 -75.49 161.31 29.31 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.313 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' H ' ' NH1' ' A' ' 74' ' ' ARG . 62.4 mttp -133.54 128.16 34.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.706 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -121.98 162.35 21.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.7 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 p -107.15 -4.29 19.0 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -137.72 134.62 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.82 0.343 . . . . 0.0 110.594 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 p -63.77 -32.49 74.01 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -63.8 -34.98 79.12 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 120.679 0.276 . . . . 0.0 111.039 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -77.21 -37.94 52.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.852 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.44 -47.61 81.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.628 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.63 -36.9 85.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.57 0.224 . . . . 0.0 110.671 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.4 m -64.62 -49.75 69.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.644 0.259 . . . . 0.0 110.505 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -63.66 -32.81 74.41 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.986 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 56.6 m -54.34 -40.83 68.42 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.545 0.338 . . . . 0.0 110.774 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -62.0 -22.57 65.8 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.066 -177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -38.85 66.52 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 120.667 0.27 . . . . 0.0 110.768 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.46 -27.69 29.31 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.226 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 p -91.71 -6.28 52.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.6 40.83 Favored Glycine 0 CA--C 1.549 2.209 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.569 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -70.47 100.27 1.75 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -120.61 84.47 36.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.9 -14.84 5.05 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.743 2.295 . . . . 0.0 112.992 -174.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.12 77.88 9.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.7 t -78.77 146.06 34.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.794 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.29 161.23 30.75 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 170.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.65 3.93 6.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.802 -176.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.417 ' C ' ' H ' ' A' ' 101' ' ' SER . 11.1 m95 -62.33 148.74 89.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.56 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.69 22.54 0.29 Allowed 'Trans proline' 0 CA--C 1.55 1.319 0 C-N-CA 122.956 2.437 . . . . 0.0 113.083 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 99' ' ' TRP . 47.7 t -154.68 19.27 0.46 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.106 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.32 151.67 42.19 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 121.157 0.503 . . . . 0.0 111.613 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -144.36 24.92 1.56 Allowed 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.932 170.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 36.7 mtmm -74.28 145.8 43.72 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.216 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -128.44 134.01 48.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.314 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.37 165.13 12.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.648 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.35 3.11 40.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -136.24 141.12 43.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.198 0.523 . . . . 0.0 110.704 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 p -57.13 -50.28 73.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.511 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.17 -33.6 75.83 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.68 -43.66 97.46 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.8 -40.43 91.9 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.944 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.17 -46.31 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.07 -46.6 89.98 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.712 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.432 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 45.0 t60 -54.39 -49.57 69.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.796 -0.184 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -56.67 -39.68 74.2 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.787 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -15.83 63.61 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.569 0.224 . . . . 0.0 111.199 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 mtt -114.75 13.08 17.2 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.774 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.372 0 CA-C-O 120.723 0.297 . . . . 0.0 110.923 -174.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 110.199 -0.296 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.1 mtp -136.24 158.69 43.83 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.771 0.32 . . . . 0.0 110.321 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 t -72.48 142.76 48.57 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.998 173.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.06 -1.67 58.14 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.771 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 81.9 t80 -80.88 123.5 82.2 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 122.362 -0.211 . . . . 0.0 110.569 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.21 -25.89 58.02 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.884 2.389 . . . . 0.0 113.593 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.2 -5.8 79.47 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.496 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.1 t -114.42 -77.97 0.58 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 122.494 0.318 . . . . 0.0 110.465 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 57.82 19.47 5.71 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -79.33 164.45 24.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 120.62 0.248 . . . . 0.0 110.362 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 155.98 17.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.263 0.554 . . . . 0.0 111.969 -169.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.01 170.1 16.35 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.776 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -117.06 -46.26 2.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.571 0.224 . . . . 0.0 111.23 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -91.79 116.41 28.88 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.477 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -48.25 -43.15 32.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.135 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 p -68.05 -46.04 72.22 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.736 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -30.43 71.48 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.617 0.246 . . . . 0.0 110.395 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -39.77 65.39 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 170.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -58.16 -41.13 83.13 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -48.15 82.24 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.745 173.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.98 -41.04 82.13 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.712 0.291 . . . . 0.0 110.812 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -59.01 -34.57 72.03 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -38.38 68.65 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -56.33 -45.4 80.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.1 m-70 -71.74 -20.96 61.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.8 p -52.36 -20.38 2.74 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.21 17.94 16.43 Favored Glycine 0 CA--C 1.551 2.311 0 C-N-CA 121.691 -0.29 . . . . 0.0 112.555 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.41 1.86 14.51 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.868 0.334 . . . . 0.0 111.475 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -118.64 100.15 51.22 Favored Pre-proline 0 N--CA 1.476 0.835 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.12 162.73 25.78 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.574 2.183 . . . . 0.0 113.216 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -133.77 178.56 6.85 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.439 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -131.41 152.75 50.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.752 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.0 t -50.16 131.03 23.45 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.012 0.434 . . . . 0.0 111.051 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.61 0.77 25.07 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.324 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.59 -12.06 59.53 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 122.252 0.221 . . . . 0.0 111.179 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 73.21 -51.18 0.71 Allowed 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 123.496 0.718 . . . . 0.0 111.48 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -77.79 -2.51 36.75 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.008 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 31.5 t -100.77 148.37 24.99 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.121 0.486 . . . . 0.0 110.884 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -121.24 23.99 10.23 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.943 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -87.57 133.57 33.77 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.71 147.1 40.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.499 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -130.76 139.31 50.23 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.522 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 p -84.65 -7.05 59.37 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -141.32 151.72 43.83 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.993 0.425 . . . . 0.0 110.97 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -42.52 87.03 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.685 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.98 -39.44 92.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.094 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.5 -46.93 87.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.79 -45.01 96.04 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -60.58 -44.9 95.7 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.085 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.43 -46.6 83.37 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 173.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.85 -36.89 80.3 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.376 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.45 -38.15 63.29 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.444 0.164 . . . . 0.0 110.892 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -55.46 -33.31 63.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.445 0.164 . . . . 0.0 111.081 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -64.07 -31.76 73.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.346 0.258 . . . . 0.0 111.439 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -94.34 -36.57 11.89 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 120.661 0.267 . . . . 0.0 111.078 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -78.37 -23.58 46.82 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.076 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.65 -7.3 41.59 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 121.718 -0.277 . . . . 0.0 112.945 173.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.04 138.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.991 0.425 . . . . 0.0 110.817 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -128.9 84.2 63.85 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.1 -19.19 10.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.706 2.271 . . . . 0.0 113.265 -170.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -84.49 95.1 8.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 120.581 0.229 . . . . 0.0 110.432 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -98.89 135.18 40.69 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.727 0.299 . . . . 0.0 111.032 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.8 t -65.08 146.92 54.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 169.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -90.72 -9.16 47.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -70.57 0.71 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.6 0.36 . . . . 0.0 110.78 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.7 -7.79 58.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.599 0.237 . . . . 0.0 111.306 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 65.47 18.48 11.31 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.826 0.451 . . . . 0.0 111.378 -178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -74.71 158.0 34.31 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.58 141.84 48.91 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.06 160.33 37.5 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.215 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -104.94 -3.62 23.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -135.7 130.1 33.71 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.82 0.343 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -60.31 -33.71 72.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.266 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.99 -35.04 79.49 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.21 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -76.52 -34.24 58.57 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.788 -0.187 . . . . 0.0 110.903 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -67.41 -47.72 69.42 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.512 0.196 . . . . 0.0 110.558 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.89 -34.43 77.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.0 m -67.3 -49.45 64.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.708 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.45 -30.6 71.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.019 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.5 m -54.32 -40.98 68.48 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.591 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -62.2 -25.24 67.68 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.473 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -65.17 -29.11 69.92 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.463 0.173 . . . . 0.0 110.845 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -92.61 -26.63 17.77 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.762 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 m -91.8 -6.27 52.04 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.55 -172.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.98 13.21 47.03 Favored Glycine 0 CA--C 1.55 2.22 0 C-N-CA 121.338 -0.458 . . . . 0.0 112.406 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.33 96.15 2.79 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -119.68 80.54 23.96 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -82.4 -20.8 5.69 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.76 2.307 . . . . 0.0 112.874 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.9 m-85 -79.14 76.92 5.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.006 0.431 . . . . 0.0 110.615 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 m -82.35 142.41 32.05 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.618 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -70.45 151.42 45.16 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.079 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -105.62 -1.99 23.99 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.319 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.57 151.43 97.17 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-O 120.657 0.265 . . . . 0.0 110.415 177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 129.38 22.11 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.512 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 p 63.73 14.36 8.16 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.129 0.572 . . . . 0.0 112.033 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.5 t -97.86 -83.41 0.4 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 120.684 0.278 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 56.59 30.98 18.28 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 122.938 0.495 . . . . 0.0 111.39 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 137.87 58.29 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 169.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -111.15 140.27 45.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 111.2 -170.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.33 159.53 36.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.805 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.58 -1.04 41.93 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.193 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -135.06 141.77 46.18 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 110.827 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 7.8 p -57.2 -48.07 79.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.72 -33.57 76.28 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.72 -43.24 98.11 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 tp -66.66 -39.56 88.24 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.991 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.26 -45.53 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.38 -46.57 89.62 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.665 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.45 -49.34 70.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.781 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -58.11 -37.26 74.2 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.893 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -16.89 63.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.483 0.182 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.4 mtp -107.62 3.66 25.04 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.018 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.345 0.388 0 CA-C-O 120.728 0.299 . . . . 0.0 111.094 -172.729 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 120.721 0.295 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -136.25 158.66 43.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.173 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.0 t -81.61 131.47 35.27 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.733 172.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.12 -7.36 58.87 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.781 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 60.0 t80 -70.79 127.23 92.03 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 120.463 0.173 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.03 -14.59 35.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.727 2.285 . . . . 0.0 113.334 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.91 -2.59 71.57 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.156 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.16 -67.35 0.99 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.501 0.32 . . . . 0.0 110.776 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.13 36.76 1.59 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.004 0.522 . . . . 0.0 111.693 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.5 -172.35 3.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.784 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 mmt-85 -119.19 154.75 32.84 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 111.457 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -141.68 170.06 16.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.965 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.13 -9.71 6.49 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 42.9 mmtm -132.76 114.84 14.61 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -46.66 -42.23 16.07 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 120.674 0.273 . . . . 0.0 110.85 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -68.3 -46.12 71.18 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.12 -29.3 68.19 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -34.3 65.9 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 169.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.5 88.0 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 171.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -49.84 75.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.19 -39.02 77.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 120.669 0.271 . . . . 0.0 111.144 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -59.1 -34.87 72.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.323 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -55.56 -38.12 68.91 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.18 -45.46 79.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.496 0.188 . . . . 0.0 110.579 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -71.52 -21.49 61.91 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -172.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.97 -29.71 63.47 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.535 0.207 . . . . 0.0 110.885 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.84 -0.59 60.32 Favored Glycine 0 CA--C 1.543 1.821 0 C-N-CA 121.58 -0.343 . . . . 0.0 112.531 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.04 -45.79 8.13 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.788 0.294 . . . . 0.0 110.687 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.36 86.6 8.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.253 172.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.77 167.42 25.81 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 112.493 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.56 172.19 10.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.279 170.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -132.42 151.79 51.74 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.06 129.79 24.62 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.075 0.464 . . . . 0.0 111.375 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.3 -8.79 57.36 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.21 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.23 -17.46 64.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.317 0.247 . . . . 0.0 111.224 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER 71.7 -48.5 0.68 Allowed 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 123.666 0.787 . . . . 0.0 111.901 175.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -73.17 -14.09 61.29 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.658 0.266 . . . . 0.0 110.733 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.4 t -88.32 161.33 17.2 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.336 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.32 22.96 4.42 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.98 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -94.72 145.87 24.56 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -121.66 147.18 46.2 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.3 m-85 -132.12 139.33 48.42 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.613 -176.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p -72.25 -31.45 65.8 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.409 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -122.42 156.34 34.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.324 0.583 . . . . 0.0 111.404 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.21 77.63 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.045 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -69.37 -34.79 75.07 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.418 0.152 . . . . 0.0 111.3 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.41 -43.35 86.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.34 -44.47 94.77 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.72 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.89 -41.15 97.54 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.848 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -58.7 -47.37 84.79 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.2 t60 -60.77 -39.62 89.48 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.187 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -53.41 -38.11 63.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.967 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.14 -33.39 62.86 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 122.476 -0.14 . . . . 0.0 110.987 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.36 -37.03 85.69 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.251 0.22 . . . . 0.0 111.299 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -87.0 -35.09 18.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.661 0.267 . . . . 0.0 111.061 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.2 p -82.12 -26.41 33.58 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.1 11.91 84.62 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 121.568 -0.349 . . . . 0.0 112.369 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.1 t -76.17 114.63 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.08 86.48 46.88 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.96 7.41 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.688 2.259 . . . . 0.0 113.029 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -86.35 92.67 8.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -101.71 134.97 44.02 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.773 0.32 . . . . 0.0 110.722 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.78 132.46 49.63 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -23.88 67.49 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.026 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -74.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.137 -172.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -88.88 -5.05 58.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.236 0.214 . . . . 0.0 111.418 -173.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 64.84 20.58 12.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.765 0.426 . . . . 0.0 111.483 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -65.65 139.1 58.38 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -112.4 135.29 53.27 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.894 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -131.57 159.7 37.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.513 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -106.73 9.24 31.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.942 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -140.35 126.66 19.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.1 p -66.53 -33.56 75.96 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.64 -38.38 90.04 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.754 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -68.4 -44.94 73.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.938 174.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.06 -47.27 77.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.512 0.196 . . . . 0.0 110.913 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -62.86 -35.32 79.6 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.573 0.225 . . . . 0.0 110.782 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.2 m -66.76 -49.59 65.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.824 0.345 . . . . 0.0 110.633 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.48 -32.87 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.971 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -54.25 -40.92 68.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -62.23 -23.11 66.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.7 p -62.54 -26.5 68.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.565 0.221 . . . . 0.0 110.814 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -93.06 -29.29 15.87 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -91.79 -6.32 51.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.04 14.42 61.24 Favored Glycine 0 CA--C 1.548 2.151 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.71 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -73.09 100.68 3.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 80.56 10.23 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.308 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.32 -15.04 9.11 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.651 2.234 . . . . 0.0 113.163 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -85.32 76.16 10.16 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.747 ' HG ' ' NH2' ' A' ' 98' ' ' ARG . 59.7 p -83.8 142.69 30.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.962 0.41 . . . . 0.0 110.863 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.23 147.96 49.15 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -176.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.747 ' NH2' ' HG ' ' A' ' 96' ' ' SER . 4.7 mmp_? -103.46 -4.38 24.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -63.42 149.79 91.09 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-O 120.606 0.241 . . . . 0.0 110.483 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.83 20.41 0.53 Allowed 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 122.756 2.304 . . . . 0.0 113.451 -170.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.7 p -172.84 64.55 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.641 0.258 . . . . 0.0 110.738 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 36.4 t -161.98 -82.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.681 0.276 . . . . 0.0 111.15 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.31 25.16 14.62 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.983 0.513 . . . . 0.0 111.713 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.435 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 0.8 OUTLIER -64.37 146.36 54.58 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 169.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -121.2 131.43 54.23 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.354 -169.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -120.26 164.04 16.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.825 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.64 -3.12 31.01 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -134.64 146.02 49.15 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.148 0.499 . . . . 0.0 110.714 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -57.75 -50.26 73.82 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.506 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -62.14 -33.56 74.72 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.57 -43.35 97.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.77 -40.61 84.02 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.204 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -61.59 -41.52 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.635 0.255 . . . . 0.0 110.646 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -66.14 -46.61 76.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.635 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.93 -45.9 74.88 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.953 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.14 -33.59 67.55 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.669 -0.242 . . . . 0.0 110.946 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -18.0 65.14 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.065 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.5 mtt -79.42 -18.27 52.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.476 0.179 . . . . 0.0 110.976 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.346 0.455 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 177.192 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 84.8 m-85 . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 120.591 0.234 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mtp -136.38 150.02 48.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 168.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.82 129.44 39.95 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.993 0.425 . . . . 0.0 110.942 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.84 -9.27 58.48 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.785 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -70.01 128.23 91.82 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 120.535 0.207 . . . . 0.0 110.463 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.73 -16.29 41.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.664 2.243 . . . . 0.0 113.224 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.99 -9.21 66.07 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.196 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 41.6 t -110.33 -75.89 0.62 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 122.325 0.25 . . . . 0.0 111.0 -174.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.91 29.95 1.82 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.065 0.546 . . . . 0.0 111.873 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 mppt? -84.37 167.38 16.57 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 171.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 151.52 20.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.092 0.473 . . . . 0.0 111.606 -171.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -134.26 162.0 33.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.734 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -115.99 -14.09 11.24 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.318 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.03 113.9 13.93 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 122.402 0.281 . . . . 0.0 110.574 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 55.5 tp -45.3 -42.37 9.69 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 120.716 0.293 . . . . 0.0 111.111 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.12 -45.93 72.29 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.678 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -29.24 68.96 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -35.1 66.32 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 169.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -39.97 80.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.9 mmt -63.34 -49.8 72.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -58.03 -34.49 70.12 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.733 0.301 . . . . 0.0 111.06 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.7 m -58.79 -34.48 71.51 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -54.42 -38.06 65.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.635 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.27 -47.43 78.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.462 0.172 . . . . 0.0 110.701 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -70.44 -21.43 62.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -171.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -56.25 -27.4 54.9 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.453 0.168 . . . . 0.0 110.986 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.5 -6.38 59.77 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 121.598 -0.334 . . . . 0.0 112.613 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -93.35 -36.04 12.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.807 0.304 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -143.85 85.19 9.28 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.417 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.14 164.55 35.31 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.521 2.148 . . . . 0.0 112.233 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -73.9 162.77 28.73 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.7 143.28 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.77 151.26 47.81 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.06 -1.84 28.5 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.84 114.36 9.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -19.61 65.83 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -169.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.92 9.15 23.12 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.75 -74.66 0.48 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.494 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 52.33 30.72 8.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 122.785 0.434 . . . . 0.0 111.411 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -81.44 156.18 25.49 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' H ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -112.84 141.46 46.63 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -176.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -134.13 139.26 45.78 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.691 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -68.97 -39.74 79.26 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.44 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.08 151.7 32.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.051 0.453 . . . . 0.0 111.226 -175.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.51 -39.37 76.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.771 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.37 -40.76 89.94 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -61.33 -46.47 90.11 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.4 -48.26 80.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.797 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.64 -44.9 90.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.284 0.234 . . . . 0.0 111.308 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -59.81 -46.9 87.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.445 ' CD2' HE21 ' A' ' 58' ' ' GLN . 0.8 OUTLIER -60.59 -36.97 79.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 -177.515 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.445 HE21 ' CD2' ' A' ' 57' ' ' HIS . 29.4 mm-40 -53.12 -38.02 62.27 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.755 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.11 -33.27 62.68 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.935 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -57.39 -31.82 66.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.575 0.35 . . . . 0.0 111.652 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -132.24 55.46 1.88 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.338 0.59 . . . . 0.0 110.508 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -153.75 -49.53 0.09 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.369 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.93 -7.33 1.58 Allowed Glycine 0 N--CA 1.48 1.606 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.547 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 t 68.77 -68.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.48 0.712 . . . . 0.0 111.206 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -151.59 96.23 3.2 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-O 120.605 0.241 . . . . 0.0 111.268 -170.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -88.92 -22.48 1.08 Allowed 'Trans proline' 0 CA--C 1.561 1.838 0 C-N-CA 122.726 2.284 . . . . 0.0 113.433 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -78.22 86.7 4.33 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 120.734 0.302 . . . . 0.0 110.826 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.13 127.47 36.57 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.74 143.59 57.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.476 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -92.43 -12.91 30.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 175.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.71 -64.67 1.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.823 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.62 2.13 47.02 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 63.47 18.74 11.27 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.463 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.33 173.51 6.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.561 0.22 . . . . 0.0 110.628 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -137.33 142.94 41.83 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.541 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.97 162.08 33.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m -97.8 -10.89 24.0 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.62 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -143.88 148.2 35.11 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -68.02 -31.32 70.92 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.045 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.38 -37.95 89.27 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 120.583 0.23 . . . . 0.0 110.812 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -71.51 -36.22 71.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.717 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.1 tt -66.87 -47.63 71.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.275 0.083 . . . . 0.0 110.836 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -61.53 -39.47 91.14 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.81 0.338 . . . . 0.0 110.539 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.1 m -61.19 -49.57 76.65 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.289 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -62.34 -33.01 73.87 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.221 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.2 m -54.23 -38.99 66.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.745 0.418 . . . . 0.0 110.865 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -61.68 -22.46 65.34 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.71 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 m -54.4 -47.18 73.03 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.051 172.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.21 -27.55 60.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.681 0.277 . . . . 0.0 110.67 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -91.62 -6.26 52.55 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.91 24.1 59.97 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.189 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.12 123.3 34.48 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.039 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.6 87.9 40.27 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.288 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.52 -18.45 5.78 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 122.511 2.141 . . . . 0.0 113.059 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -84.26 78.42 9.79 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.013 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 t -78.65 142.23 37.35 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.668 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.9 t -70.4 161.33 30.7 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -86.12 0.53 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.622 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 5.8 m95 54.24 -179.87 0.03 OUTLIER Pre-proline 0 CA--C 1.576 1.965 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -48.01 -43.75 29.52 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.314 2.01 . . . . 0.0 112.662 -174.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 m -170.75 64.28 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.4 t -87.8 177.68 6.93 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.308 0.575 . . . . 0.0 111.121 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.4 tp-100 -160.7 13.97 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.908 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.419 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.2 mppt? -79.4 137.55 37.32 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -128.52 132.46 48.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.09 165.37 12.97 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.908 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.06 -3.73 34.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -133.99 141.62 47.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.0 0.429 . . . . 0.0 110.629 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.1 p -57.15 -48.31 79.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.382 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.05 -33.78 76.17 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.78 -42.63 97.93 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.7 tp -67.37 -39.03 85.63 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.003 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.17 -45.71 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.44 -46.54 89.64 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.593 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.5 -49.54 69.93 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.65 -39.75 74.27 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.77 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -15.71 63.62 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.221 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.1 mtt -114.25 7.23 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.457 0.303 . . . . 0.0 110.973 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.739 0.305 . . . . 0.0 110.97 -173.361 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.95 0.405 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.416 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 64.1 mtt -136.23 158.76 43.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.573 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 40.4 t -103.04 124.72 49.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.378 171.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 -8.8 57.95 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.926 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.483 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 77.1 t80 -71.82 132.31 85.11 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 120.599 0.238 . . . . 0.0 110.824 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 89.1 Cg_endo -74.82 56.69 4.22 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 122.968 2.445 . . . . 0.0 112.385 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.52 57.68 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 43.8 t -152.13 175.67 12.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.675 0.39 . . . . 0.0 110.11 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.91 -20.34 65.89 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.428 169.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 9' ' ' CYS . 2.9 ttmt 71.51 15.7 6.08 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 123.138 0.575 . . . . 0.0 111.337 169.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 7.1 tmm_? -143.23 141.9 31.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.033 0.444 . . . . 0.0 111.408 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.474 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 36.8 m-85 -144.83 170.05 16.86 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -115.69 -37.62 3.91 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.285 -175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 14.7 tppt? -108.9 122.28 46.87 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.625 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -45.29 36.65 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.044 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -68.08 -45.93 72.43 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.08 -29.36 69.69 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -38.9 65.42 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.205 169.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -38.76 77.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.99 -48.11 66.68 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 38.8 t60 -58.0 -35.25 70.97 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.635 0.255 . . . . 0.0 111.091 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -59.04 -35.04 72.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.303 -176.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -38.37 69.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.26 -47.34 78.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.534 0.207 . . . . 0.0 110.537 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.483 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 45.5 m-70 -75.67 -21.59 57.5 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -60.05 -27.02 66.6 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.13 -8.57 57.72 Favored Glycine 0 CA--C 1.541 1.705 0 CA-C-N 116.394 -0.366 . . . . 0.0 112.576 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.58 -30.81 20.23 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.783 0.291 . . . . 0.0 110.641 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.1 69.02 7.2 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.199 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.3 154.47 65.58 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.485 2.123 . . . . 0.0 112.266 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -90.17 166.25 13.49 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.383 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -132.54 151.2 52.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.73 151.88 37.21 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.345 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.93 -8.42 49.38 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.145 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.62 115.9 23.59 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.896 0.379 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.6 -18.45 65.33 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.008 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -91.34 0.27 57.54 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.126 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.9 t -117.4 -68.15 0.94 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 49.98 37.84 14.96 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.331 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.88 162.71 23.83 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 145.23 50.2 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.001 0.429 . . . . 0.0 111.316 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.5 m-85 -129.34 139.39 51.74 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.603 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 p -90.06 20.09 4.52 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.499 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -157.25 148.4 21.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.983 0.421 . . . . 0.0 110.954 172.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.4 p -62.85 -42.76 99.87 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.982 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.88 -33.85 76.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.003 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.48 -44.38 87.3 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.419 0.152 . . . . 0.0 110.688 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.61 -45.64 89.42 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.716 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -60.79 -42.48 97.65 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.4 -47.4 85.95 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.83 0.347 . . . . 0.0 110.295 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 41.9 t60 -60.75 -36.82 79.88 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.168 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -53.09 -36.73 61.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.525 0.33 . . . . 0.0 110.911 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 11.5 mmp_? -55.13 -32.89 62.41 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.023 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -55.75 -41.67 74.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.331 0.252 . . . . 0.0 111.443 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -93.63 -31.06 14.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.352 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -77.93 -26.09 48.71 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.817 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.3 -9.19 76.22 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.964 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.406 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 13.1 p -73.46 121.45 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -122.79 87.65 50.17 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.989 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.91 -20.1 11.97 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.752 2.301 . . . . 0.0 113.526 -169.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -82.76 86.09 6.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -94.36 133.99 37.34 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.94 128.71 36.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.409 171.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -71.35 -16.27 62.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.883 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -71.99 0.57 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.019 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -93.77 -4.06 50.98 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.185 0.194 . . . . 0.0 111.522 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 66.71 19.56 10.75 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.758 0.423 . . . . 0.0 111.482 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -67.64 139.67 56.83 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -111.4 132.16 54.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.42 160.1 28.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.51 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -110.35 9.18 23.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -144.44 121.4 11.35 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.668 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -60.27 -29.4 68.78 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.223 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.64 -39.79 95.25 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -75.28 -38.07 60.57 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.67 -47.38 75.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 121.366 -0.134 . . . . 0.0 110.64 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.28 -42.04 99.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.58 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 m -59.82 -49.48 77.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.779 0.323 . . . . 0.0 110.59 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.78 -38.73 92.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.6 m -54.96 -41.5 71.22 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -69.18 -23.0 63.87 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.959 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 p -68.97 -34.93 76.13 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.383 0.135 . . . . 0.0 110.739 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.29 -19.19 43.5 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 120.647 0.261 . . . . 0.0 110.546 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 m -91.69 -6.11 52.6 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.855 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.29 14.61 66.72 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 121.404 -0.427 . . . . 0.0 112.4 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.93 105.24 12.0 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.52 82.01 63.75 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.452 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -86.0 -14.73 4.99 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 122.8 2.333 . . . . 0.0 113.191 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -83.9 77.43 9.9 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.9 t -79.09 145.6 33.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.28 156.15 39.67 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.42 4.79 8.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.878 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.415 ' C ' ' H ' ' A' ' 101' ' ' SER . 9.0 m95 -61.74 150.23 82.63 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 120.727 0.299 . . . . 0.0 110.713 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.95 23.25 0.3 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 122.997 2.465 . . . . 0.0 113.058 -174.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 99' ' ' TRP . 59.1 m -161.53 23.13 0.12 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.29 0.236 . . . . 0.0 110.882 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 33.9 t -144.46 168.69 19.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.219 0.533 . . . . 0.0 111.223 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 1.1 tp-100 -164.38 29.5 0.07 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.04 171.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -68.15 143.62 55.32 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -123.79 133.85 53.74 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 111.171 -171.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.72 164.47 17.34 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.909 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.99 -3.42 32.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -130.54 139.77 50.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.985 0.421 . . . . 0.0 110.676 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.9 p -57.14 -48.16 79.38 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.303 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -64.52 -33.52 76.1 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.777 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.59 -43.06 97.79 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 173.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.87 -40.35 87.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.078 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.23 -47.39 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -60.9 -46.74 89.42 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.671 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -57.6 -47.39 82.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.985 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -56.69 -33.6 66.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.791 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -16.25 63.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.441 0.162 . . . . 0.0 111.212 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.8 mtt -81.03 -17.94 48.48 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.527 0.203 . . . . 0.0 110.97 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.346 0.452 0 CA-C-O 120.75 0.31 . . . . 0.0 110.469 177.146 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -80.83 138.42 36.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.079 0.466 . . . . 0.0 110.78 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.37 140.31 56.23 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.666 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.02 -17.13 61.47 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.501 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 66.6 t80 -72.5 117.87 62.8 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-O 120.565 0.222 . . . . 0.0 110.984 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.89 110.72 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 122.637 2.225 . . . . 0.0 112.082 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.83 -38.84 2.08 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.2 -78.13 0.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m120 49.62 27.18 2.04 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.39 152.96 44.3 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.413 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 127.55 44.47 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.155 0.502 . . . . 0.0 111.094 -170.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.407 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 60.9 m-85 -109.34 170.32 8.13 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.441 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.98 -38.43 3.65 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.601 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 49.8 mtpt -97.39 115.55 27.94 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.653 0.263 . . . . 0.0 110.492 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -44.85 -47.19 11.08 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.797 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -67.93 -45.27 74.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.936 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.97 -30.92 71.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.586 0.231 . . . . 0.0 110.407 -178.595 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -42.04 63.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.264 170.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -57.98 -38.79 76.72 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 tpt -64.31 -46.63 82.74 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 35.7 t60 -57.85 -36.81 72.82 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.574 0.225 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 p -59.07 -34.99 72.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.747 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.69 -38.23 69.38 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.4 -42.62 78.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.561 0.219 . . . . 0.0 110.469 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 74.8 m-70 -78.51 -21.39 48.96 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.354 -176.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -14.8 15.77 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.946 0.403 . . . . 0.0 109.945 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.93 40.23 1.68 Allowed Glycine 0 CA--C 1.544 1.866 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 169.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.92 60.6 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.782 0.433 . . . . 0.0 111.826 -172.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -146.65 160.54 41.02 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.499 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.11 90.55 0.55 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.096 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -63.13 112.15 2.52 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.238 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.0 148.6 24.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.016 0.436 . . . . 0.0 111.12 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.25 153.0 44.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.775 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.99 -8.56 25.21 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.05 110.47 3.95 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -59.93 -25.62 65.3 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.986 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.74 8.89 13.19 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 120.546 0.212 . . . . 0.0 111.176 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.5 t -136.81 -81.43 0.38 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.673 0.389 . . . . 0.0 110.669 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 54.24 34.65 20.86 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 122.874 0.47 . . . . 0.0 111.657 -176.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 159.01 35.0 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 171.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -113.52 141.08 47.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.98 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 99.1 m-85 -130.3 148.82 52.17 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.8 p -99.19 21.83 11.31 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -161.81 150.8 15.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.415 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 p -63.93 -42.44 97.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -34.08 75.63 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.032 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.36 -48.9 79.17 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.35 -49.86 75.9 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.91 -44.18 96.78 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.441 0.163 . . . . 0.0 111.056 -179.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -57.72 -47.09 83.4 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.746 0.308 . . . . 0.0 110.247 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -60.48 -49.47 77.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.349 -178.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -54.7 -38.27 66.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.71 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.31 63.37 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.705 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -31.59 68.77 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -115.39 -5.13 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.0 p -102.25 -27.81 12.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.198 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.01 105.68 0.52 Allowed Glycine 0 N--CA 1.472 1.082 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -46.52 -79.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -169.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' H ' HG22 ' A' ' 64' ' ' VAL . 46.9 mmtt -144.04 80.66 12.23 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-O 120.615 0.245 . . . . 0.0 111.149 -171.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.2 -22.11 5.14 Favored 'Trans proline' 0 CA--C 1.552 1.412 0 C-N-CA 122.604 2.203 . . . . 0.0 113.324 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.41 94.46 7.99 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.531 0.205 . . . . 0.0 110.482 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -95.12 137.45 34.16 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.706 0.288 . . . . 0.0 111.279 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.76 147.43 53.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.411 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -85.7 -14.28 45.86 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -73.1 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -172.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.21 -2.97 59.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.382 0.273 . . . . 0.0 111.25 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 61.72 24.53 14.62 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 122.721 0.409 . . . . 0.0 111.228 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -64.85 164.15 12.97 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.62 138.11 49.95 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.997 0.427 . . . . 0.0 111.0 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -135.1 167.14 21.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.353 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 p -102.55 -15.16 16.5 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.937 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -136.75 152.82 50.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.048 0.451 . . . . 0.0 111.128 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 p -72.96 -34.56 66.57 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.26 -35.02 79.47 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.565 0.222 . . . . 0.0 110.591 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -68.59 -45.31 72.34 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.635 172.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.15 -47.65 79.07 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.402 0.144 . . . . 0.0 110.967 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.68 -37.03 80.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 m -65.84 -49.6 67.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.664 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.58 -34.59 75.87 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.936 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.8 m -54.39 -41.22 69.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.889 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -62.29 -22.8 66.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.234 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -54.58 -36.22 64.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.696 0.284 . . . . 0.0 110.814 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -86.9 -28.76 22.6 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.322 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.8 p -91.7 -6.4 52.08 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.75 9.37 55.88 Favored Glycine 0 CA--C 1.55 2.24 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.738 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.03 94.56 1.11 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -122.67 78.84 47.98 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.395 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -80.52 -18.63 9.37 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.783 2.322 . . . . 0.0 113.111 -174.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.21 81.09 8.96 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.758 0.313 . . . . 0.0 110.674 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 t -89.72 142.77 27.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.41 135.03 48.39 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.589 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 7.99 29.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.198 -175.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.403 ' C ' ' H ' ' A' ' 101' ' ' SER . 6.5 m95 -58.85 151.61 53.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 -176.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.43 23.7 0.32 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 123.038 2.492 . . . . 0.0 112.939 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 99' ' ' TRP . 62.7 m -160.27 18.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.313 0.245 . . . . 0.0 111.038 177.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.3 t -150.09 152.68 35.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 120.805 0.336 . . . . 0.0 110.802 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -146.08 36.23 1.02 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.847 171.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -71.17 166.38 21.61 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.281 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -128.79 144.81 51.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.13 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -133.73 155.75 49.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.52 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.15 3.92 44.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -134.27 134.77 42.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -57.11 -43.8 82.62 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.3 -33.47 75.35 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.581 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.66 -42.07 96.31 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.278 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.73 -42.62 90.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.881 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.1 -47.23 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.157 175.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -61.47 -46.77 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.766 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -55.76 -49.84 72.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.677 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -56.76 -38.17 72.07 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.914 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -18.68 63.62 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 120.524 0.202 . . . . 0.0 111.095 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -103.76 -1.6 27.69 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.036 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.344 0.334 0 CA-C-O 120.599 0.238 . . . . 0.0 111.091 -171.707 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.574 0.226 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.6 158.61 44.03 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.818 0.342 . . . . 0.0 110.607 169.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 144.08 44.77 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.986 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.22 -2.79 58.08 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.02 127.99 77.78 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-O 120.64 0.257 . . . . 0.0 110.479 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.08 -12.47 32.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.679 2.252 . . . . 0.0 113.094 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.25 7.31 72.34 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.133 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -134.59 -72.18 0.48 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.367 0.267 . . . . 0.0 110.765 -175.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.25 32.17 0.93 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.001 0.52 . . . . 0.0 111.645 -176.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -79.77 175.4 10.65 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -113.77 151.31 32.17 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.14 0.495 . . . . 0.0 111.415 -173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -139.59 161.23 38.0 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.384 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -107.91 -45.5 3.97 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.313 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 85.5 mttt -92.91 117.95 30.6 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 tp -45.14 -47.94 12.21 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.728 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -67.86 -45.85 73.41 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.669 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.95 -30.42 71.55 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.063 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -39.44 65.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.099 170.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.83 77.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.64 80.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.673 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.97 -39.87 79.21 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 120.643 0.259 . . . . 0.0 110.616 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -59.27 -35.08 73.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.26 69.2 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.48 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -45.53 80.39 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.602 0.239 . . . . 0.0 110.842 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -75.94 -21.29 57.19 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -51.03 -33.57 25.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.68 31.12 9.09 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 116.446 -0.343 . . . . 0.0 112.541 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -126.54 18.12 7.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.707 0.253 . . . . 0.0 110.943 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -94.31 106.7 24.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -73.62 81.52 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.439 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -77.39 159.71 29.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -132.67 150.08 52.21 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.74 138.69 56.97 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.893 0.378 . . . . 0.0 110.769 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -98.66 8.71 44.61 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.019 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -70.73 159.46 34.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.118 0.485 . . . . 0.0 111.094 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -63.94 -37.21 86.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.404 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -128.58 62.61 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.9 t -147.61 171.7 15.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.592 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.65 15.46 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -76.57 145.61 38.88 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 149.24 40.03 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.129 0.49 . . . . 0.0 110.853 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.0 m-85 -130.96 164.66 24.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.2 p -103.68 -9.9 18.78 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.58 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -138.89 156.0 47.63 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-O 121.004 0.43 . . . . 0.0 110.941 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -40.52 85.65 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.65 176.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -69.31 -34.46 74.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.36 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -64.85 -46.58 81.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.692 0.282 . . . . 0.0 110.387 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.13 -46.5 88.74 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.794 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.61 -42.4 88.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.449 0.166 . . . . 0.0 110.893 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -61.08 -47.49 86.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.713 0.292 . . . . 0.0 110.341 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.4 t60 -60.64 -45.29 94.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.764 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -53.5 -38.27 63.55 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.06 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -33.28 66.45 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.202 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -63.44 -36.67 84.51 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.517 0.199 . . . . 0.0 111.069 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -84.21 -33.36 24.16 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.138 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.9 p -88.0 -23.87 23.69 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.48 7.25 63.93 Favored Glycine 0 CA--C 1.547 2.041 0 C-N-CA 121.587 -0.339 . . . . 0.0 113.207 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.6 t -52.5 -50.74 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 116.973 0.386 . . . . 0.0 111.225 -174.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 50.77 66.07 5.94 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.11 -19.68 22.54 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.744 2.296 . . . . 0.0 113.333 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -81.85 91.7 6.57 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.767 0.318 . . . . 0.0 110.393 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -91.96 135.97 33.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.721 0.296 . . . . 0.0 110.673 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.68 135.35 55.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.472 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -19.69 65.8 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.279 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -76.53 0.53 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.009 -171.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -86.7 -5.02 59.24 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.504 0.192 . . . . 0.0 111.374 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 66.94 19.49 10.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.776 0.431 . . . . 0.0 111.409 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.29 140.5 58.5 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 172.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -105.5 132.59 51.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.647 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -128.8 156.26 43.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.449 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -100.01 -0.81 38.5 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.441 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -138.8 135.75 34.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -64.22 -32.08 73.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.136 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -68.15 -34.95 77.28 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.09 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -69.8 -40.86 75.72 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.851 -0.159 . . . . 0.0 110.626 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.58 -44.71 81.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.479 0.18 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -62.0 -36.25 80.97 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.1 m -68.24 -49.52 60.12 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.631 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -64.64 -30.12 71.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -54.23 -40.81 68.03 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.787 0.435 . . . . 0.0 110.8 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -61.96 -23.14 66.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.039 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -58.07 -42.79 86.27 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.767 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -86.7 -24.34 25.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.73 -6.2 52.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.472 -171.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.42 56.69 Favored Glycine 0 CA--C 1.545 1.942 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.242 -177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.28 108.64 17.88 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.876 0.369 . . . . 0.0 111.042 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.54 85.48 60.22 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.359 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.0 -18.33 3.6 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 122.777 2.318 . . . . 0.0 112.965 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.51 79.92 9.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.898 0.38 . . . . 0.0 110.956 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.4 t -78.85 146.1 33.84 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.63 176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -70.38 161.14 31.02 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.31 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -124.04 1.58 8.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.859 -175.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -61.64 147.18 89.15 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.812 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.51 27.05 0.35 Allowed 'Trans proline' 0 CA--C 1.552 1.375 0 C-N-CA 123.103 2.535 . . . . 0.0 112.953 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.2 m -164.58 35.93 0.07 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.421 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 47.3 t -136.35 168.51 19.29 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.262 0.554 . . . . 0.0 111.315 -176.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.28 24.18 0.13 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.192 175.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -92.94 148.34 22.09 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.497 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -128.54 152.61 48.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.3 159.57 37.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.06 -5.26 50.83 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.278 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -135.62 144.47 46.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 p -58.25 -48.01 81.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.694 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.1 -33.75 76.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.315 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.75 -43.77 97.53 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.75 -39.83 91.49 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.053 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.8 t -58.29 -45.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.636 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -54.29 -50.03 68.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.538 0.209 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -56.7 -38.57 72.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.894 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -17.66 63.64 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.035 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.4 mtp -107.25 3.99 26.11 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.423 0.289 . . . . 0.0 110.931 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.63 0.252 . . . . 0.0 111.001 -172.455 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.0 mtp -136.29 158.71 43.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 169.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.09 144.9 42.69 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.891 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.37 0.26 53.36 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 52.8 t80 -83.23 124.93 75.64 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 122.399 -0.188 . . . . 0.0 110.72 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.59 -25.63 50.96 Favored 'Trans proline' 0 C--N 1.364 1.348 0 C-N-CA 122.921 2.414 . . . . 0.0 113.451 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.34 1.12 85.99 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.582 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 t -127.93 -77.58 0.57 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.488 0.315 . . . . 0.0 110.608 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.15 26.94 14.33 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -85.62 -176.82 6.22 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.77 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 148.34 34.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.092 0.472 . . . . 0.0 111.31 -171.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -133.83 170.08 16.11 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.991 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -124.0 -4.62 8.0 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.595 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -141.72 127.42 19.14 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.589 0.233 . . . . 0.0 110.658 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.65 -50.1 55.34 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.965 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.07 -45.88 72.61 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.649 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -31.64 72.95 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 120.672 0.272 . . . . 0.0 110.41 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -38.75 66.08 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.171 170.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.0 -38.51 79.37 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.702 0.287 . . . . 0.0 110.359 174.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.6 tpt -65.03 -46.49 81.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.652 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.1 -35.64 71.72 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m -59.2 -34.51 72.24 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.71 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -55.25 -38.18 68.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.925 -0.125 . . . . 0.0 110.737 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -42.01 77.41 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.701 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 66.2 m-70 -88.58 -21.21 24.16 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.796 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -13.29 1.4 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.738 0.415 . . . . 0.0 111.696 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.53 38.0 1.95 Allowed Glycine 0 CA--C 1.542 1.777 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -127.04 11.18 7.03 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.05 120.03 72.21 Favored Pre-proline 0 CA--C 1.55 0.952 0 O-C-N 122.227 -0.296 . . . . 0.0 110.59 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.34 104.94 1.77 Allowed 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.638 2.225 . . . . 0.0 112.57 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.93 165.4 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.76 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -132.42 150.72 52.1 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.68 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.55 136.09 32.97 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 120.917 0.389 . . . . 0.0 111.129 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -75.63 -11.17 59.96 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.267 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -70.41 123.06 20.83 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.86 0.362 . . . . 0.0 110.477 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 8.3 0.66 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -171.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -132.98 10.38 4.22 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.131 0.172 . . . . 0.0 111.328 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.0 t -109.36 156.64 19.76 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 29.91 3.89 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.722 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.16 146.85 23.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.46 149.9 50.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.804 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 77.2 m-85 -132.64 164.62 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.654 -174.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 p -105.38 -5.81 20.1 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -144.15 150.11 37.55 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -40.61 74.85 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.37 -37.68 83.56 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.292 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.47 -47.85 83.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.672 0.272 . . . . 0.0 110.337 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.89 -47.05 86.71 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -59.08 -40.2 84.5 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.136 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -65.88 -43.85 87.07 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 81.2 t60 -60.77 -39.04 87.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.02 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -53.33 -38.22 63.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.184 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 7.9 mmp_? -55.35 -33.24 63.22 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.443 0.163 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.91 -36.81 84.6 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.344 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.71 -34.99 19.52 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.638 0.256 . . . . 0.0 111.044 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 p -83.24 -21.78 33.28 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.204 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.01 -2.14 44.24 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 121.784 -0.246 . . . . 0.0 112.977 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.451 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 8.3 p -69.98 147.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 111.123 -174.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -130.95 82.08 65.11 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.186 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -66.19 -23.88 52.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.801 2.334 . . . . 0.0 113.562 -169.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -95.68 127.51 41.77 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -124.1 137.84 54.51 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.3 t -69.33 144.85 53.39 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.713 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -9.84 55.55 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 175.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -66.09 0.94 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.946 -172.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.81 -8.33 49.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.549 0.214 . . . . 0.0 111.106 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.79 20.06 10.65 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -80.79 155.97 26.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 120.596 0.236 . . . . 0.0 110.534 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -114.39 146.85 40.07 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.097 0.475 . . . . 0.0 111.318 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -136.22 158.62 43.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.99 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -98.13 4.77 49.05 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.619 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.25 140.58 39.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.723 0.296 . . . . 0.0 110.999 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -64.93 -34.77 79.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.901 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.49 -35.42 73.25 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.477 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -76.81 -36.03 57.19 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.641 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.08 -47.14 75.24 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.406 0.145 . . . . 0.0 110.672 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.61 -36.43 83.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.708 0.29 . . . . 0.0 110.648 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -63.76 -49.39 73.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.629 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -63.67 -30.99 72.03 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.9 m -60.64 -41.49 95.04 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.202 -0.311 . . . . 0.0 110.374 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -65.29 -23.15 66.95 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.951 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.2 m -70.65 -31.84 68.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.858 -0.156 . . . . 0.0 110.756 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.97 -23.1 27.03 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.62 0.247 . . . . 0.0 110.847 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.0 m -91.81 -6.11 52.26 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.109 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.63 16.27 50.24 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.271 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.82 98.18 5.49 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.903 0.382 . . . . 0.0 110.589 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -118.56 82.61 19.9 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -83.36 -16.6 6.94 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.761 2.307 . . . . 0.0 113.006 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 109' ' ' SER . 92.5 m-85 -84.08 76.79 10.04 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.828 0.347 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.591 ' HG ' ' NH2' ' A' ' 98' ' ' ARG . 36.9 p -82.17 144.74 30.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.6 t -70.44 161.12 31.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' HG ' ' A' ' 96' ' ' SER . 3.0 mmp_? -113.2 -4.45 13.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.095 -176.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -67.21 134.64 93.48 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.51 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.66 37.86 0.59 Allowed 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 123.026 2.484 . . . . 0.0 113.003 -171.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.6 m -165.62 35.38 0.06 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.261 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 t -147.93 -87.13 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.186 -170.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.91 27.46 16.83 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.538 -173.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.06 158.93 35.05 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -128.43 148.82 50.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.011 0.434 . . . . 0.0 111.535 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -132.9 160.1 38.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.576 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.51 2.06 47.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -135.68 136.22 40.72 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.97 0.415 . . . . 0.0 110.655 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.403 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.3 t -57.04 -45.21 83.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.553 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.01 -33.49 75.67 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.52 -42.47 96.51 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.66 -40.23 88.56 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.013 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.22 -44.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 120.67 0.272 . . . . 0.0 110.272 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.79 -46.65 87.02 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.656 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.31 -48.87 70.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.786 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -56.78 -39.78 74.69 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.012 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -71.79 -15.63 62.16 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 120.497 0.189 . . . . 0.0 111.175 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.9 mtt -107.98 8.42 28.38 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.441 0.296 . . . . 0.0 110.873 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.345 0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.014 -173.754 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -136.49 158.6 44.06 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.66 146.18 46.73 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.8 -7.4 43.49 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.693 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -76.66 121.07 84.2 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 122.304 -0.247 . . . . 0.0 110.747 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.04 101.99 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.664 2.243 . . . . 0.0 112.044 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.7 -34.21 2.19 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.657 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -93.32 -79.25 0.41 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m120 49.19 31.79 3.82 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.275 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -79.34 166.74 21.76 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.75 159.49 14.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.499 0.666 . . . . 0.0 111.719 -170.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -144.74 170.3 16.37 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.613 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -120.44 -47.33 2.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.562 0.22 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 71.7 mmtt -86.52 121.39 28.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.05 -45.44 32.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.76 175.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 p -68.2 -46.1 71.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.45 -30.16 70.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.342 -177.006 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -39.1 65.27 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.295 169.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -58.28 -38.54 77.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -46.56 70.88 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.02 -39.48 78.46 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.365 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -59.29 -34.89 72.83 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.837 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.9 ttp85 -55.7 -38.43 69.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.85 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -42.3 78.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.596 0.236 . . . . 0.0 110.57 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -82.42 -21.48 35.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.401 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -24.03 67.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.06 11.21 69.63 Favored Glycine 0 CA--C 1.543 1.789 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.354 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -124.46 4.45 8.35 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.613 0.365 . . . . 0.0 111.123 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 115.51 42.78 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.497 0.189 . . . . 0.0 110.573 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.03 108.24 2.41 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.586 2.191 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.35 160.07 16.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 173.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -132.47 145.34 51.11 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.01 132.15 46.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.869 0.366 . . . . 0.0 110.663 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.06 -2.94 50.2 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.247 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.63 119.84 13.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -64.99 -5.84 7.18 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -169.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -121.08 10.13 10.68 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 122.129 0.171 . . . . 0.0 111.318 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -99.88 170.93 8.18 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 110.695 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -151.31 34.56 0.57 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.709 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -108.84 142.93 38.71 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.912 0.387 . . . . 0.0 110.677 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -121.81 148.13 45.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 84.3 m-85 -126.25 164.63 20.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.301 -177.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -106.38 2.11 26.25 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.612 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -153.57 152.77 31.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.216 0.532 . . . . 0.0 111.198 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -42.09 84.79 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.007 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -34.15 74.07 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.305 -176.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -62.86 -48.39 79.21 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.667 0.27 . . . . 0.0 110.344 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 tp -62.26 -49.83 74.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -57.05 -44.14 82.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.575 0.226 . . . . 0.0 110.881 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -58.67 -45.71 88.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.402 173.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 72.6 t60 -60.61 -36.85 79.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.934 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -53.36 -38.21 63.11 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.825 -0.17 . . . . 0.0 111.29 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -33.14 63.19 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 122.359 -0.213 . . . . 0.0 110.929 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.72 -37.41 81.64 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.428 0.156 . . . . 0.0 111.176 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -87.59 -38.51 15.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.645 0.259 . . . . 0.0 111.083 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -78.44 -20.69 50.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.181 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.96 -0.66 71.71 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 116.603 -0.271 . . . . 0.0 112.631 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.76 124.26 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.946 0.403 . . . . 0.0 110.948 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -119.29 87.59 35.78 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.919 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.52 -17.49 7.43 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.578 2.185 . . . . 0.0 113.226 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -87.71 90.37 8.35 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.729 0.299 . . . . 0.0 110.302 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -97.22 140.78 31.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.806 0.336 . . . . 0.0 110.995 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.43 140.41 55.78 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -12.77 58.58 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.941 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -63.81 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.2 p -98.58 -4.16 34.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.539 0.209 . . . . 0.0 111.44 -175.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 60.86 21.07 11.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.786 0.434 . . . . 0.0 111.607 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 tpt85 -73.43 146.29 45.16 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.363 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -100.93 148.17 25.31 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 110.907 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -140.08 156.16 46.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.984 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 p -99.38 -8.78 24.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.695 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -136.82 141.7 42.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.869 0.366 . . . . 0.0 110.956 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 p -64.74 -32.74 74.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.226 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -66.51 -36.42 82.68 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.074 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -75.21 -36.5 61.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.895 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.72 -47.55 74.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.461 0.172 . . . . 0.0 110.555 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.4 -34.41 77.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.636 0.255 . . . . 0.0 110.641 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 m -66.8 -49.56 65.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.718 0.294 . . . . 0.0 110.584 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.64 -31.89 73.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -54.26 -41.01 68.31 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 122.722 0.409 . . . . 0.0 110.79 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -62.11 -23.11 66.34 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.997 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 m -59.05 -44.72 91.84 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.657 0.265 . . . . 0.0 110.917 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -82.47 -22.48 35.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.706 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.8 -6.26 52.03 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.253 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.97 20.18 57.43 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.44 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 102.21 14.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -171.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -123.77 87.83 52.45 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.39 -15.91 3.36 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.752 2.301 . . . . 0.0 112.961 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -85.6 76.57 9.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.9 p -78.95 145.58 33.92 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.8 t -70.28 161.19 30.81 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 172.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.92 5.55 7.3 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -59.7 148.48 75.12 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-O 120.714 0.293 . . . . 0.0 110.627 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.51 27.45 0.31 Allowed 'Trans proline' 0 CA--C 1.553 1.434 0 C-N-CA 123.031 2.487 . . . . 0.0 113.316 -169.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 m -164.21 20.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.824 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.556 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 24.9 t -118.69 168.88 10.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.331 0.586 . . . . 0.0 111.628 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.16 15.95 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.177 178.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 26.6 mtmm -85.5 147.97 26.19 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -172.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -128.6 148.63 50.8 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.08 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -129.59 159.43 36.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.606 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.46 -1.5 50.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -133.7 137.88 45.52 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.936 0.398 . . . . 0.0 110.698 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -57.25 -45.97 83.46 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.84 -33.5 75.73 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.631 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.7 -43.11 98.19 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.95 -40.34 91.26 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.026 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.17 -44.47 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.33 -46.64 87.81 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.595 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -54.32 -49.25 70.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.716 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.67 -40.17 75.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.025 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -72.0 -15.62 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.471 0.177 . . . . 0.0 111.139 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.5 mtt -108.09 7.11 27.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.401 0.28 . . . . 0.0 110.828 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.686 0.279 . . . . 0.0 110.959 -173.65 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 120.688 0.28 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.13 17.22 0.08 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.4 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -66.48 -17.82 65.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.192 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -147.33 99.81 3.19 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.207 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -136.7 83.24 30.46 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.06 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.04 -36.01 83.15 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.729 2.286 . . . . 0.0 112.408 175.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 86.4 m-85 -135.39 161.79 34.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.42 158.69 43.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 168.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.52 140.06 46.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.03 0.93 57.43 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -80.55 126.96 77.23 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -68.45 -15.11 41.42 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.716 2.277 . . . . 0.0 113.103 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.72 -4.33 85.26 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 121.329 -0.462 . . . . 0.0 112.322 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -124.89 -75.89 0.59 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.431 0.292 . . . . 0.0 110.656 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.28 26.95 7.34 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.371 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -82.27 170.83 14.94 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.365 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -98.88 154.72 17.82 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.307 0.575 . . . . 0.0 111.652 -172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -140.33 168.67 19.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.708 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.46 -35.2 3.14 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.311 -174.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.5 mppt? -103.82 118.15 36.02 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.295 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 1.9 pt? -49.16 -44.03 42.43 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.622 0.249 . . . . 0.0 111.098 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -68.06 -45.31 74.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.9 -29.42 70.6 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.599 0.237 . . . . 0.0 110.539 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -38.97 65.87 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.005 169.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.46 76.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 174.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.22 -47.72 72.92 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.86 -41.17 81.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.055 0.455 . . . . 0.0 110.584 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 t -59.07 -30.14 67.85 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.064 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -55.09 -38.07 67.64 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -40.08 73.38 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.512 176.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -81.23 -21.4 39.54 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -57.47 -23.25 48.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 122.296 -0.252 . . . . 0.0 111.019 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.55 21.4 39.08 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 116.529 -0.305 . . . . 0.0 112.418 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -128.97 16.52 6.24 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.511 0.324 . . . . 0.0 111.374 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HE2' " H3'" ' C' ' 138' ' ' ' DC' . 56.5 mttp -105.04 102.32 35.3 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 122.226 0.21 . . . . 0.0 110.574 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.32 86.3 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.6 2.2 . . . . 0.0 113.165 -170.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -75.64 166.55 23.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.684 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.47 153.37 50.95 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.761 0.315 . . . . 0.0 110.691 175.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.46 143.06 46.83 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.01 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.11 -10.27 42.55 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 42.6 m-85 -70.27 156.37 39.36 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.038 0.446 . . . . 0.0 111.334 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -88.74 -8.74 53.93 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.594 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.56 13.76 29.53 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 1.9 t -138.71 173.11 11.92 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.98 175.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -160.87 29.84 0.15 Allowed 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -85.8 161.81 18.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.596 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -130.24 141.38 50.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.5 m-85 -128.35 139.35 52.44 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.7 p -86.98 2.13 50.52 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -141.26 148.51 39.97 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 120.901 0.381 . . . . 0.0 110.747 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -44.52 92.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.26 -37.63 88.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -62.51 -48.85 77.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.499 0.19 . . . . 0.0 110.752 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.1 tp -62.2 -48.1 81.49 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.648 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.3 -41.34 88.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.532 0.206 . . . . 0.0 111.1 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.21 -47.46 82.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.254 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.4 t60 -60.74 -37.64 82.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.333 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -53.16 -38.33 62.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.543 0.211 . . . . 0.0 110.5 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -56.98 -33.23 66.89 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.556 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.25 -31.75 63.84 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.45 0.167 . . . . 0.0 111.054 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 85.0 m-70 -90.13 -39.81 12.63 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.1 p -77.24 -25.01 51.12 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.568 0.223 . . . . 0.0 111.137 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.92 4.65 88.64 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.577 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.7 126.83 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.004 0.43 . . . . 0.0 110.732 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -131.16 79.93 69.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.317 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.7 -16.65 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.783 2.322 . . . . 0.0 113.257 -171.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -86.27 96.78 10.07 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -104.11 134.95 46.51 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 120.974 0.416 . . . . 0.0 110.953 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.12 140.59 58.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.903 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -77.64 -18.88 56.3 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 -65.25 1.01 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -172.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -99.96 -2.67 34.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.605 0.241 . . . . 0.0 111.37 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.27 22.83 13.13 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -65.51 155.28 36.13 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -121.45 133.98 55.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.21 162.62 27.42 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.23 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t -113.1 4.62 16.71 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.441 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -136.07 127.64 28.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.29 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -58.65 -32.76 69.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.995 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.77 -40.6 88.29 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.071 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.431 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.1 m-70 -67.68 -43.02 81.15 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.608 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.69 -47.57 75.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.298 0.094 . . . . 0.0 110.829 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.42 -34.5 77.87 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.565 0.221 . . . . 0.0 110.448 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -49.54 68.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -64.02 -31.7 72.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -57.52 -41.42 80.83 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.518 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -65.28 -24.53 67.33 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.115 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 m -67.21 -34.08 76.73 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.385 0.136 . . . . 0.0 110.75 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -86.39 -22.04 26.83 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.529 0.204 . . . . 0.0 110.898 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.053 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.04 14.15 55.16 Favored Glycine 0 CA--C 1.545 1.914 0 C-N-CA 121.467 -0.397 . . . . 0.0 112.429 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.76 98.13 6.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.941 0.401 . . . . 0.0 110.615 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.18 80.14 27.53 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.73 -14.02 7.91 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.817 2.345 . . . . 0.0 112.936 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.12 74.44 10.48 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.823 0.344 . . . . 0.0 110.695 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -85.56 144.24 28.02 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.913 0.387 . . . . 0.0 110.752 176.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.03 154.44 41.94 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.251 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -111.74 0.32 16.22 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.292 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -64.97 157.27 76.95 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-O 120.511 0.196 . . . . 0.0 110.706 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -68.48 7.35 0.71 Allowed 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 122.827 2.351 . . . . 0.0 113.991 -170.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 m -174.88 74.4 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.589 0.233 . . . . 0.0 110.611 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.4 t -164.48 -80.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.896 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 62.41 14.93 7.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.153 0.581 . . . . 0.0 111.864 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -55.22 137.74 46.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -109.46 140.27 43.41 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.136 0.493 . . . . 0.0 111.555 -169.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -130.62 160.37 34.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.51 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.44 2.11 49.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -135.92 136.42 40.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.094 0.473 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 p -57.18 -47.11 82.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.76 -33.51 76.03 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.604 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.54 -44.82 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.82 -39.07 93.34 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.833 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.8 t -59.13 -47.48 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 120.463 0.173 . . . . 0.0 110.723 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -63.6 -46.48 85.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.4 -45.71 72.98 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.857 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -60.89 -33.88 73.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.1 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -71.53 -15.65 62.3 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.527 0.204 . . . . 0.0 110.931 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.7 tpp -79.11 -16.41 56.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.048 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 C--N 1.349 0.558 0 CA-C-O 120.79 0.329 . . . . 0.0 110.479 176.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.275 0 C3'-C2'-C1' 98.352 -3.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.221 0 P-O3'-C3' 122.036 1.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-C2' 101.366 -4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.247 0 O4'-C4'-C3' 108.286 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.403 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 C3'-C2'-C1' 98.989 -2.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.431 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.545 4.193 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C4'-C3' 109.416 3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.15 0 O3'-P-O5' 97.835 -3.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.94 2 O4'-C4'-C3' 110.012 4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.076 1 O4'-C1'-C2' 101.121 -4.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.377 3 C5'-C4'-C3' 106.114 -5.724 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.861 3 O4'-C4'-C3' 110.628 5.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 2 O3'-P-O5' 95.165 -4.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.57 7.425 1 O3'-P-O5' 93.803 -5.367 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . 0.433 " H3'" ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 1 O4'--C4' 1.398 -4.395 0 C5'-C4'-C3' 119.75 3.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.615 0 P-O3'-C3' 123.821 3.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.015 2 P-O3'-C3' 125.895 5.162 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.758 1 O3'-P-O5' 95.919 -4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 P-O3'-C3' 122.733 2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.887 0 C5'-C4'-C3' 109.487 -3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.624 2 O4'-C4'-C3' 110.608 5.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.401 0 O4'-C4'-C3' 108.166 2.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C4'-C3' 108.546 2.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C4'-C3' 109.654 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.811 1 O3'-P-O5' 96.07 -4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 O4'-C4'-C3' 108.545 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.54 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.06 1 O4'-C4'-C3' 110.893 5.293 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.54 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.103 1 O4'-C4'-C3' 110.693 5.093 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 120.684 0.278 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -61.81 -22.86 65.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.392 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.86 -6.54 59.49 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.643 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.83 88.76 1.03 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -133.17 76.17 69.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.13 -45.7 39.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.22 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -128.75 162.26 27.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.31 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.2 mtm -136.29 158.81 43.54 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 169.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.31 136.21 46.16 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.098 0.475 . . . . 0.0 110.858 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.3 -14.76 59.28 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.665 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 41.6 t80 -74.64 122.42 87.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 CA-C-O 120.409 0.147 . . . . 0.0 110.975 -175.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -56.71 -24.63 55.98 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 122.95 2.434 . . . . 0.0 113.395 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.24 -4.97 90.02 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.307 -0.473 . . . . 0.0 112.434 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 t -126.5 -73.65 0.61 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.467 0.307 . . . . 0.0 110.788 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 45.29 38.55 3.57 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.788 0.435 . . . . 0.0 111.395 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -80.45 -179.65 7.26 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 171.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -104.46 154.76 19.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.111 0.482 . . . . 0.0 111.233 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -140.92 167.63 21.72 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.76 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -122.71 -35.04 3.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 33.3 mmtp -103.7 116.51 32.47 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.381 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -42.38 16.44 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 120.618 0.247 . . . . 0.0 110.996 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 p -68.2 -45.92 72.05 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.89 -29.43 69.32 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.662 0.268 . . . . 0.0 110.32 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -39.23 65.42 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.165 169.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -58.23 -38.9 77.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.677 0.275 . . . . 0.0 110.37 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmt -66.33 -46.87 75.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -57.93 -35.0 70.48 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -59.24 -35.06 72.99 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.39 69.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.642 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.514 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.26 -38.85 77.73 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 58.8 m-70 -86.2 -21.31 27.54 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -26.03 35.77 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.455 0.169 . . . . 0.0 111.277 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 -20.09 33.94 Favored Glycine 0 CA--C 1.551 2.294 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.51 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.79 -10.3 51.37 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.406 0.283 . . . . 0.0 110.99 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 65.6 8.84 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 122.813 0.445 . . . . 0.0 109.856 173.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.12 127.0 12.3 Favored 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 122.37 2.047 . . . . 0.0 112.473 -173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -73.4 162.4 29.35 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 169.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.75 152.43 51.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -66.91 154.33 41.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.421 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.37 11.57 13.09 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.74 -15.99 63.36 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.342 0.257 . . . . 0.0 111.381 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 75.79 -45.09 0.53 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.541 0.736 . . . . 0.0 111.151 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.64 25.03 0.94 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.71 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.3 t -148.5 -76.86 0.16 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 57.61 27.18 13.81 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -69.35 150.56 47.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -103.51 151.41 22.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 111.167 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 94.5 m-85 -135.78 164.63 27.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.1 p -108.28 1.55 22.04 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.793 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.8 mtm-85 -150.35 157.45 43.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.022 0.439 . . . . 0.0 111.057 174.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.53 87.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.629 176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.3 -36.49 77.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.439 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 HE21 ' NH2' ' A' ' 50' ' ' ARG . 61.0 mt-30 -63.69 -45.72 88.76 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.752 0.31 . . . . 0.0 110.192 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.5 tp -64.63 -47.6 77.96 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.981 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.27 -42.45 98.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 120.619 0.247 . . . . 0.0 110.999 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.99 -46.33 91.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.346 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 9.1 t60 -60.72 -41.75 95.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -53.44 -30.64 41.56 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 122.276 0.23 . . . . 0.0 111.496 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -54.95 -33.0 61.88 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.559 0.218 . . . . 0.0 110.587 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -55.8 -44.16 77.57 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -87.85 -39.02 15.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.6 p -70.44 -23.44 62.72 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.67 87.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 121.512 -0.375 . . . . 0.0 112.19 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.7 t -75.63 99.76 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.081 0.467 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -115.84 77.88 6.85 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.979 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -80.66 -20.38 7.99 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.848 2.365 . . . . 0.0 113.154 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -78.68 86.32 4.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -97.33 138.38 34.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.737 0.303 . . . . 0.0 110.649 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.68 133.5 52.29 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -12.64 59.2 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.96 -53.7 4.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.525 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 15.9 p -103.84 -104.28 0.3 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.172 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -164.59 11.04 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.94 120.14 9.07 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.506 -174.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -102.34 140.03 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.95 159.95 40.36 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.374 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.1 m -106.61 4.09 27.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -138.74 123.87 19.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -62.07 -28.18 69.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.283 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -66.51 -37.46 85.1 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 120.523 0.202 . . . . 0.0 111.042 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 61.7 m170 -74.55 -36.56 63.1 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.854 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.79 -47.67 71.39 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.7 -34.37 75.65 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.263 . . . . 0.0 110.646 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 m -66.89 -49.52 65.36 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.64 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.74 -30.74 71.81 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -54.19 -40.57 67.68 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.927 0.491 . . . . 0.0 110.678 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -61.79 -23.17 66.04 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.103 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 m -57.27 -43.7 83.33 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.678 0.275 . . . . 0.0 110.713 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.64 -22.08 24.93 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.778 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.1 m -91.79 -6.4 51.83 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.399 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.49 12.11 44.53 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.57 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.83 103.07 6.58 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.79 82.52 54.92 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -87.48 -13.31 4.24 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.806 2.337 . . . . 0.0 113.124 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -84.13 76.3 10.09 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.749 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 t -79.29 146.06 33.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.5 t -70.35 161.09 31.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.164 0.507 . . . . 0.0 110.953 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.48 2.61 8.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.95 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 101' ' ' SER . 9.3 m95 -63.81 149.26 93.38 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.83 -175.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -68.03 20.34 0.13 Allowed 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.082 2.521 . . . . 0.0 113.868 -172.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 99' ' ' TRP . 47.1 m -164.39 25.59 0.07 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.036 0.135 . . . . 0.0 110.985 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.528 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 45.0 t -141.45 163.71 32.2 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.389 0.614 . . . . 0.0 111.496 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.2 tp-100 -163.82 36.16 0.08 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.152 169.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.528 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -71.78 147.42 47.29 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.955 175.596 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.11 142.1 49.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.199 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -128.65 162.37 27.48 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.898 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.06 -2.85 39.28 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -134.68 144.23 47.68 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.144 0.497 . . . . 0.0 110.86 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.5 p -57.65 -50.2 73.95 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.601 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.45 -33.48 75.65 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -60.51 -42.57 96.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.971 -0.456 . . . . 0.0 109.911 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -68.67 -40.39 80.19 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.144 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.4 m -60.9 -41.32 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -63.81 -46.6 84.4 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.675 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -54.4 -49.38 70.06 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.605 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.84 -37.76 74.44 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.977 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -17.82 63.87 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.506 0.194 . . . . 0.0 111.079 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.1 mtp -105.61 1.0 26.96 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.906 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -171.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.069 0 C3'-C2'-C1' 99.747 -2.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.981 0 P-O3'-C3' 123.513 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.998 1 C3'-C2'-C1' 96.719 -4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.986 1 O3'-P-O5' 95.888 -4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.092 0 C3'-C2'-C1' 97.127 -3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.41 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.424 -2.025 0 O4'-C4'-C3' 108.462 2.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 5.996 0 O4'-C1'-C2' 109.593 3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-C2' 99.844 -5.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.983 1 O3'-P-O5' 95.945 -4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.93 0 O4'-C4'-C3' 108.938 3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.926 3 C5'-C4'-C3' 106.671 -5.353 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.254 0 O4'-C1'-C2' 102.513 -3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.381 -5.884 1 O4'-C4'-C3' 113.594 7.994 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.09 1 O4'-C1'-C2' 110.925 4.386 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.501 0 O4'-C4'-C3' 108.691 3.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.396 -2.719 1 P-O3'-C3' 125.919 5.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.153 1 O5'-C5'-C4' 118.217 5.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.549 3.127 1 O4'-C4'-C3' 109.686 4.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.579 0 P-O3'-C3' 123.951 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.011 0 P-O3'-C3' 124.488 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.648 3.443 1 O4'-C4'-C3' 110.324 4.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.923 0 P-O3'-C3' 123.715 3.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 C5'-C4'-C3' 111.829 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.76 0 O4'-C1'-C2' 102.151 -3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.998 1 O4'-C4'-C3' 110.158 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 O4'-C4'-C3' 108.461 2.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.498 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.405 -3.767 0 O4'-C4'-C3' 108.493 2.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.498 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.62 2.689 0 C3'-C2'-C1' 98.948 -2.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 120.602 0.239 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -64.01 -23.68 67.43 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.681 0.277 . . . . 0.0 111.199 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.47 3.77 42.55 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.37 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -104.97 82.14 1.83 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.001 0.429 . . . . 0.0 110.643 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.88 168.06 12.16 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.99 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.51 111.92 1.29 Allowed 'Trans proline' 0 CA--C 1.548 1.218 0 C-N-CA 122.489 2.126 . . . . 0.0 113.0 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -106.99 178.86 4.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.228 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.7 mtp -136.14 156.88 48.04 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 42.1 t -90.95 137.35 32.43 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.563 171.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.13 59.6 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.383 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 t80 -79.82 132.98 59.32 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.64 -34.35 25.49 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.411 2.074 . . . . 0.0 112.654 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.64 62.21 2.34 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 39.2 t -146.5 177.56 8.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.854 0.359 . . . . 0.0 110.129 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -70.5 -24.48 62.85 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.145 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 37.1 mtmm 64.53 23.64 12.92 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 123.562 0.745 . . . . 0.0 111.741 171.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -141.86 142.26 33.11 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.45 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 37.2 m-85 -145.01 170.23 16.56 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.68 -12.31 8.89 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -131.81 132.54 43.83 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.261 0.224 . . . . 0.0 110.628 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -52.9 -53.14 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -67.91 -46.03 72.71 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.65 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -30.16 71.13 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.36 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.37 -40.69 64.16 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.378 170.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -58.25 -41.19 83.67 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.654 0.264 . . . . 0.0 110.397 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -44.74 79.09 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 36.5 t60 -57.93 -39.8 78.89 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 120.768 0.318 . . . . 0.0 110.7 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.24 -34.93 72.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.537 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -55.84 -38.48 70.11 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.69 -33.66 71.88 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.412 0.149 . . . . 0.0 111.169 -177.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.1 m-70 -79.5 -20.85 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -175.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -48.69 -33.0 9.29 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.69 0.82 59.61 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.662 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -103.13 3.52 35.96 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.749 0.275 . . . . 0.0 111.14 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -113.95 83.0 7.28 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 170.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.18 171.51 18.16 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.853 2.369 . . . . 0.0 113.308 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -137.01 176.0 9.1 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.519 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.7 157.7 44.22 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.648 0.261 . . . . 0.0 110.483 170.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -68.92 146.52 52.72 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 170.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.28 -9.92 46.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.039 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.51 109.95 6.55 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.92 0.391 . . . . 0.0 109.949 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -68.17 -13.17 62.03 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.088 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.0 -1.65 58.21 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.93 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.415 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 3.6 t -118.32 -66.34 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 52.8 32.42 12.24 Favored 'General case' 0 CA--C 1.561 1.397 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -72.07 155.26 40.49 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -113.52 145.81 40.62 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 98.8 m-85 -127.65 164.64 21.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.505 -176.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.2 p -105.16 -25.98 12.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.425 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -128.99 149.83 50.66 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.862 0.363 . . . . 0.0 110.768 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.1 t -61.48 -39.46 91.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -67.96 -33.84 75.42 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.56 -44.95 96.1 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.799 0.333 . . . . 0.0 110.277 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.86 -46.31 75.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.037 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -61.75 -41.19 97.35 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.431 0.158 . . . . 0.0 110.858 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -60.63 -47.49 86.01 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.721 0.296 . . . . 0.0 110.309 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 19.8 t60 -60.78 -41.75 96.19 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -53.44 -29.8 37.35 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 122.657 0.383 . . . . 0.0 111.508 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -55.01 -32.85 62.13 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 120.551 0.215 . . . . 0.0 110.685 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -55.67 -38.15 69.23 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.762 0.425 . . . . 0.0 111.542 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -99.04 -38.43 8.96 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.594 0.235 . . . . 0.0 111.235 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.8 p -72.23 -28.88 63.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.68 1.2 83.27 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.762 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.1 110.78 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.133 0.492 . . . . 0.0 110.713 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -114.92 83.47 9.47 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.13 -17.71 13.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.529 2.153 . . . . 0.0 113.408 -170.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -87.67 89.21 7.91 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -98.66 130.02 45.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.718 0.295 . . . . 0.0 111.014 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.31 128.56 36.88 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.269 170.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mmpt? -80.1 -4.84 54.48 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.1 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -68.23 0.8 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.431 0.292 . . . . 0.0 110.665 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.46 -4.09 55.92 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.39 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 69.69 12.89 8.14 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.846 0.459 . . . . 0.0 111.517 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -70.79 147.5 48.87 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 120.604 0.24 . . . . 0.0 110.721 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -114.13 127.9 56.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.844 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -121.11 160.7 23.15 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.462 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.8 p -107.33 0.67 23.22 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -139.52 129.38 24.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 p -61.9 -33.47 74.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.32 -35.49 80.51 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.421 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 63.9 m170 -76.3 -37.12 57.91 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.883 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.92 -45.53 85.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.467 0.175 . . . . 0.0 110.558 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.66 -34.38 78.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.56 0.219 . . . . 0.0 110.612 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.9 m -65.3 -49.41 69.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.498 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -64.42 -31.16 72.25 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -55.71 -41.22 73.51 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.585 0.231 . . . . 0.0 110.503 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -63.08 -25.41 68.35 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.178 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.3 m -66.25 -37.16 84.85 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.341 0.115 . . . . 0.0 110.76 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -82.04 -22.36 36.47 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 0.0 110.721 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.3 m -91.87 -6.2 51.95 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.147 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.98 16.85 49.58 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 121.408 -0.425 . . . . 0.0 112.346 -175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -81.09 116.75 21.17 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 -172.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -126.92 83.84 64.78 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.35 -18.7 3.94 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.655 2.236 . . . . 0.0 112.924 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.8 m-85 -80.54 77.87 7.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.921 0.391 . . . . 0.0 110.702 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.7 m -78.83 140.77 38.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 12.2 t -70.34 148.32 48.59 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.893 -177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.3 -11.64 45.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.943 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -74.46 132.77 78.12 Favored Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.01 -47.88 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.58 2.187 . . . . 0.0 112.339 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -76.52 54.09 0.91 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.636 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.77 -84.02 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 53.97 30.7 12.16 Favored 'General case' 0 CA--C 1.562 1.412 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.678 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -70.98 154.85 41.47 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -128.43 127.6 42.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 111.037 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.68 162.62 16.03 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.976 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.54 0.28 41.99 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.223 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -137.06 137.92 39.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 110.609 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.8 p -57.12 -46.8 82.33 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.89 -33.72 75.89 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.585 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -60.72 -44.34 96.72 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 174.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 tp -68.44 -37.82 80.58 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.112 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.3 t -58.23 -47.41 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.182 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.29 -46.45 90.28 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.48 -49.82 69.23 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.877 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -57.22 -37.28 72.0 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.574 0.226 . . . . 0.0 110.865 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -15.66 63.66 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.096 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -114.2 7.7 16.65 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.96 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.014 -173.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.285 0 O5'-C5'-C4' 105.488 -3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.075 0 C4'-C3'-O3' 104.31 -2.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C1'-O4'-C4' 104.601 -3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.719 0 O4'-C4'-C3' 108.334 2.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.421 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.122 0 P-O3'-C3' 122.96 2.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.551 5.014 0 C5'-C4'-O4' 106.029 -2.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.338 2 P-O3'-C3' 124.98 4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.177 0 O4'-C4'-C3' 108.606 3.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.753 0 O4'-C4'-C3' 109.377 3.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.231 1 O3'-P-O5' 94.937 -4.77 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.659 6.62 3 C5'-C4'-O4' 117.369 4.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.833 1 C5'-C4'-C3' 108.382 -4.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.379 1 P-O3'-C3' 124.668 4.14 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.498 1 O3'-P-O5' 95.158 -4.654 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.324 0 C4'-C3'-C2' 100.107 -3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.733 1 P-O3'-C3' 125.878 5.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.387 -5.354 2 P-O3'-C3' 127.554 6.545 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 P-O3'-C3' 124.015 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.377 -3.309 0 P-O3'-C3' 123.433 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 C2'-C3'-O3' 119.23 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.659 4.341 2 O5'-C5'-C4' 116.217 4.298 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 1 C5'-C4'-C3' 106.807 -5.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.361 0 O4'-C4'-C3' 108.26 2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.074 0 O3'-P-O5' 96.472 -3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.213 1 O4'-C4'-C3' 110.026 4.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.029 0 O4'-C4'-C3' 108.803 3.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.572 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C4'-C3' 108.876 3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.572 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.172 0 O4'-C4'-C3' 109.243 3.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.003 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -168.36 167.67 11.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.636 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.64 -49.0 79.12 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.649 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -103.04 164.6 11.52 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 119.56 61.89 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.493 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -85.36 -172.56 1.18 Allowed 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.959 2.439 . . . . 0.0 112.645 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -120.37 167.45 12.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 158.61 44.04 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 169.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 13.6 t -78.66 145.79 34.41 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.927 0.394 . . . . 0.0 110.622 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.56 -1.77 55.06 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.811 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -75.21 124.86 89.48 Favored Pre-proline 0 CA--C 1.555 1.15 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.9 -28.39 58.53 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.917 2.411 . . . . 0.0 113.539 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.31 -3.79 86.74 Favored Glycine 0 CA--C 1.544 1.886 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.538 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.8 t -115.4 -81.36 0.61 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.611 0.364 . . . . 0.0 110.68 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.54 21.1 9.6 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.609 0.364 . . . . 0.0 111.061 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -81.78 162.61 22.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 120.619 0.247 . . . . 0.0 110.508 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.7 158.78 15.39 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.277 0.561 . . . . 0.0 111.731 -171.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -144.88 170.18 16.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.895 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.25 -44.69 2.87 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.269 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -95.29 121.1 36.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.589 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -50.8 -43.69 58.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.669 0.271 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.26 -46.08 71.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.681 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -29.45 70.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.577 0.227 . . . . 0.0 110.478 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.16 -40.38 64.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 170.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -38.46 76.22 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.712 0.292 . . . . 0.0 110.303 176.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -45.24 76.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 173.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -58.06 -45.39 87.16 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.194 -0.316 . . . . 0.0 110.638 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -59.23 -33.05 70.53 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.896 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.38 -37.89 68.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.568 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.25 -36.72 68.86 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.583 0.23 . . . . 0.0 111.148 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -71.42 -20.84 62.06 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -54.26 -20.16 6.57 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.32 16.81 57.68 Favored Glycine 0 CA--C 1.548 2.136 0 C-N-CA 121.674 -0.298 . . . . 0.0 112.486 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.28 20.98 6.75 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.446 0.298 . . . . 0.0 111.072 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HE2' " H3'" ' C' ' 138' ' ' ' DC' . 62.1 mttp -111.75 94.68 24.99 Favored Pre-proline 0 N--CA 1.475 0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.623 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.45 78.5 2.69 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.782 2.321 . . . . 0.0 112.496 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -71.05 165.96 22.39 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.087 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -132.47 148.11 52.39 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.586 0.232 . . . . 0.0 110.599 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -65.94 148.84 51.17 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 169.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -93.28 -12.58 29.76 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.148 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -69.18 115.58 8.63 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.782 0.325 . . . . 0.0 110.229 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -59.98 -30.44 69.12 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.96 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.93 9.23 10.48 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.513 0.197 . . . . 0.0 111.182 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.2 -74.07 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.532 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 48.12 34.05 4.04 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.616 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -78.8 155.72 29.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.786 0.327 . . . . 0.0 110.302 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.78 143.23 35.17 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 92.2 m-85 -129.62 139.36 51.46 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -82.75 -5.65 59.01 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -170.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -145.55 153.14 40.77 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 t -58.01 -42.05 84.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.803 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.04 -42.6 98.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.144 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.76 -49.73 75.24 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.707 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.31 -46.11 90.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.814 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -59.46 -45.44 91.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.484 0.314 . . . . 0.0 111.055 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -62.0 -47.43 84.81 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.752 0.31 . . . . 0.0 110.266 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 18.0 t60 -60.67 -39.61 89.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -53.19 -36.7 61.23 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.621 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -33.1 61.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.005 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.58 -38.59 69.57 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.563 0.345 . . . . 0.0 111.135 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -83.77 -24.36 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.174 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -74.33 -32.4 62.8 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.505 0.193 . . . . 0.0 110.94 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.82 -7.33 42.8 Favored Glycine 0 CA--C 1.547 2.04 0 C-N-CA 121.646 -0.312 . . . . 0.0 112.601 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.79 132.48 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.845 0.355 . . . . 0.0 110.749 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -126.76 86.24 59.06 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.31 -19.68 6.47 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.724 2.283 . . . . 0.0 113.135 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -82.31 88.37 6.54 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.49 135.81 34.38 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.685 0.278 . . . . 0.0 110.867 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.92 139.7 58.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.088 0.47 . . . . 0.0 110.565 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.67 63.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -74.74 0.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -170.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -86.41 -6.22 58.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.324 0.25 . . . . 0.0 111.344 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 65.53 19.87 11.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 122.745 0.418 . . . . 0.0 111.418 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -66.12 135.46 54.61 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.44 137.63 42.03 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.86 160.56 32.24 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.395 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -105.72 1.5 27.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -138.18 133.31 33.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -67.06 -33.7 76.07 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.04 -35.49 80.68 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.963 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.6 m-70 -68.8 -42.71 76.94 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.649 173.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.12 -47.56 76.7 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.401 0.144 . . . . 0.0 110.843 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.2 -36.18 79.19 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.67 0.271 . . . . 0.0 110.665 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 m -66.88 -49.66 64.93 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.69 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -63.32 -32.43 73.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.8 m -54.22 -41.15 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.629 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -63.65 -23.11 67.24 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.593 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 p -62.84 -25.96 68.52 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 120.55 0.214 . . . . 0.0 110.734 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -93.9 -28.81 15.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.199 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.71 -6.35 52.15 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.12 10.91 43.15 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.545 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -70.87 97.21 1.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -123.51 80.89 54.06 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.05 -16.09 10.07 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.633 2.222 . . . . 0.0 113.133 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.69 76.55 9.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.951 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.8 p -79.39 137.47 37.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.33 133.87 47.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.378 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -105.65 8.45 33.11 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.194 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.427 ' C ' ' H ' ' A' ' 101' ' ' SER . 8.2 m95 -58.61 146.39 73.93 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.3 26.93 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.36 0 C-N-CA 123.075 2.516 . . . . 0.0 112.918 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 99' ' ' TRP . 59.4 m -162.17 24.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.615 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.1 t -140.48 170.57 15.54 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.099 0.476 . . . . 0.0 111.186 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.0 tp-100 -166.53 27.29 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.438 173.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.93 151.78 38.86 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -128.49 129.74 46.5 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -118.09 160.72 21.05 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.988 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.52 -2.77 35.01 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -131.95 139.57 48.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.669 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.9 t -57.13 -47.47 81.05 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.59 -33.36 75.73 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.583 0.353 . . . . 0.0 111.857 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.48 -40.99 93.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.834 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -69.77 -40.55 76.0 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.172 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 21.4 m -60.13 -41.55 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.54 -46.52 79.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.664 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.38 -45.03 80.72 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.643 0.258 . . . . 0.0 111.015 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.76 -34.22 69.32 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.0 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -72.41 -15.65 61.84 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.243 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.0 mtt -75.34 -19.0 59.86 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 120.407 0.146 . . . . 0.0 110.918 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 . . . . . 0 C--N 1.347 0.497 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 177.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 0 C5'-C4'-C3' 110.111 -3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C4'-C3' 108.083 2.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.082 0 C3'-C2'-C1' 97.504 -3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.992 0 O3'-P-O5' 97.394 -3.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 0 C2'-C3'-O3' 116.524 2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.448 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.295 0 P-O3'-C3' 122.844 2.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 3 O4'-C4'-C3' 111.155 5.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 2 O4'-C4'-C3' 110.427 4.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.771 0 P-O3'-C3' 123.281 2.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.86 0 O4'-C4'-C3' 109.003 3.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.37 -6.89 1 C3'-C2'-C1' 96.538 -4.401 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.128 2 O5'-C5'-C4' 103.524 -4.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.377 -6.276 1 O4'-C4'-C3' 109.781 4.181 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.626 1.576 1 O3'-P-O5' 94.315 -5.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . 0.404 " H3'" ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 2 O4'--C4' 1.391 -5.005 0 O4'-C1'-C2' 109.593 3.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 P-O3'-C3' 124.956 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.654 6.092 1 O5'-C5'-C4' 119.483 6.631 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.221 0 P-O3'-C3' 123.561 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.704 0 O4'-C4'-C3' 108.743 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O3'-P-O5' 97.132 -3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.534 1 C5'-C4'-C3' 107.943 -4.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 0 O4'-C4'-C3' 109.43 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.545 4.227 0 P-O3'-C3' 123.552 3.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C4'-C3' 109.401 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.923 1 O4'-C4'-C3' 110.177 4.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 O4'-C4'-C3' 109.023 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.467 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O5' 1.613 1.988 2 O4'-C4'-C3' 111.342 5.742 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.467 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.628 3.54 0 O4'-C4'-C3' 108.174 2.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.576 0.227 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 p -62.68 -31.24 72.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.208 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.22 -8.0 53.88 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.276 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -125.27 19.95 8.16 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -63.07 151.43 86.3 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.71 168.53 23.47 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.584 2.189 . . . . 0.0 112.143 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -90.64 174.56 7.44 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.443 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -136.06 158.82 43.49 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.052 0.453 . . . . 0.0 111.52 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.43 155.84 21.65 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.107 169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.13 5.75 20.3 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.732 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 13.4 t80 -97.21 125.46 45.61 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.608 0.242 . . . . 0.0 110.81 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -71.51 83.66 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.635 2.223 . . . . 0.0 112.261 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.46 -17.44 0.43 Allowed Glycine 0 CA--C 1.539 1.587 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.342 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 28.9 t -88.65 -171.75 3.45 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.205 0.526 . . . . 0.0 110.959 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 8.5 m-80 -61.19 -36.23 79.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.171 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.65 6.35 5.79 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.778 0.431 . . . . 0.0 110.966 -174.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -146.34 144.49 29.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.759 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.41 ' CE1' ' CD2' ' A' ' 27' ' ' HIS . 32.6 m-85 -144.81 169.99 16.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.291 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -117.44 -15.76 10.27 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 40.4 mmtm -131.14 123.88 29.52 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.689 0.281 . . . . 0.0 110.621 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.3 tp -49.03 -49.12 42.69 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 p -68.11 -46.03 72.07 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.013 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.18 -30.76 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 -177.761 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -39.04 65.34 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.151 170.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -43.62 87.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -45.34 93.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 38.0 t60 -57.79 -34.1 69.24 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.612 0.244 . . . . 0.0 111.161 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -58.71 -34.39 71.27 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -54.76 -38.13 66.84 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.506 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 37.8 ttpt -56.41 -47.52 78.85 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.799 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.7 m-70 -89.87 -21.43 22.53 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -14.49 41.42 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.485 0.183 . . . . 0.0 111.087 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.41 5.06 33.24 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 116.411 -0.358 . . . . 0.0 112.412 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.12 -46.26 3.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.457 0.303 . . . . 0.0 110.872 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.24 90.77 25.45 Favored Pre-proline 0 N--CA 1.472 0.651 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.74 162.29 29.97 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.566 2.178 . . . . 0.0 112.59 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.02 171.33 10.82 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.708 169.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -132.47 152.0 51.69 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 t -54.87 134.29 48.21 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -99.29 9.77 42.71 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.41 163.18 21.4 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.065 0.46 . . . . 0.0 111.137 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -69.05 -27.67 65.85 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.422 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -140.57 71.55 1.37 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 120.892 0.377 . . . . 0.0 110.726 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.8 170.83 21.18 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.382 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -157.29 28.51 0.29 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.712 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -83.92 154.62 23.28 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -123.27 150.72 43.15 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 90.6 m-85 -132.45 164.69 26.0 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.603 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -104.65 -1.92 25.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.583 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -153.96 152.98 31.19 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 t -57.75 -34.14 69.22 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.002 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.0 -42.53 80.57 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.975 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.53 -42.94 99.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 110.382 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.3 tp -64.18 -47.88 78.12 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.036 176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -63.32 -39.4 94.45 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 120.396 0.141 . . . . 0.0 111.068 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -58.89 -45.92 89.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 171.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.6 t60 -60.65 -41.43 94.96 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.74 -38.44 64.38 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.162 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -57.67 -33.25 68.14 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 122.429 -0.17 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -62.69 -38.13 89.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.466 0.175 . . . . 0.0 111.106 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -81.2 -39.85 24.77 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.9 p -80.01 -21.82 43.15 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.28 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.76 10.62 86.03 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 121.489 -0.386 . . . . 0.0 112.313 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.42 102.28 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.939 0.4 . . . . 0.0 110.799 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -119.75 81.05 25.04 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -81.22 -19.58 7.87 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.701 2.267 . . . . 0.0 113.042 -171.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.08 75.22 6.84 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.685 0.278 . . . . 0.0 110.545 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -91.12 129.81 37.08 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.941 0.4 . . . . 0.0 111.298 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.71 129.35 39.48 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.754 173.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -90.49 -5.21 56.31 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 176.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -48.89 12.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 174.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 24.3 p -108.32 -104.38 0.36 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 171.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -163.0 6.39 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 175.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -62.12 120.04 10.11 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.661 -170.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -97.87 122.55 41.12 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 157.39 23.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 p -106.21 0.81 25.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -137.64 129.12 28.15 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.636 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 p -62.29 -26.99 68.71 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.284 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.76 -36.01 79.74 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.632 0.253 . . . . 0.0 111.132 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.644 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 66.0 m170 -76.81 -37.79 55.08 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.669 175.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.35 0.119 . . . . 0.0 110.716 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.92 -40.07 94.21 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.692 0.282 . . . . 0.0 110.625 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.0 m -61.77 -49.7 75.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.571 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -65.11 -34.73 79.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -57.72 -41.58 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.434 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -71.8 -22.87 61.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.791 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -30.1 71.05 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.775 170.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -89.59 -18.67 26.12 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.561 0.219 . . . . 0.0 110.809 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -95.41 -6.14 41.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.163 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.8 2.03 34.95 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.794 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.56 105.68 3.2 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.903 0.383 . . . . 0.0 111.032 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.84 85.71 45.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.06 -9.21 7.5 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.707 2.271 . . . . 0.0 113.347 -173.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -90.44 79.14 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 t -78.73 145.98 34.15 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.678 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.3 t -70.29 161.26 30.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 171.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -127.54 8.05 6.4 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -67.32 148.37 98.74 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.696 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.68 33.36 0.37 Allowed 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.216 2.611 . . . . 0.0 113.131 -172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.4 p -164.47 7.94 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.389 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 17.7 t -101.62 171.52 7.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.423 0.63 . . . . 0.0 111.639 -171.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.473 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.93 22.7 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.041 -178.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -102.61 146.96 27.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.589 -173.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -128.56 149.58 50.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.008 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.82 162.24 27.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.667 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.58 -3.0 40.48 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -134.02 141.54 47.27 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.831 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.9 p -57.19 -48.49 78.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.431 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.02 -33.5 75.89 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.665 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.69 -44.34 96.67 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 tp -65.61 -39.39 91.46 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.991 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.28 -45.07 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.28 -46.69 87.65 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.526 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -54.45 -50.02 68.69 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.51 0.195 . . . . 0.0 110.75 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -56.69 -38.63 72.53 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.886 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -17.96 63.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.109 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -107.04 3.42 25.9 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 122.411 0.284 . . . . 0.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.343 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.051 -172.249 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.22 0 C3'-C2'-C1' 98.971 -2.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 O4'-C4'-C3' 109.128 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.663 4.661 2 C3'-C2'-C1' 94.944 -5.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.816 1 P-O3'-C3' 124.576 4.063 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.644 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 2 C5'--C4' 1.57 7.414 1 O4'-C1'-C2' 93.663 -11.307 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.459 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C2'--C1' 1.49 -2.23 0 O4'-C1'-C2' 101.708 -3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 0 O4'-C1'-C2' 102.161 -3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.56 3.154 0 P-O3'-C3' 121.913 1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.892 2 O4'-C4'-C3' 110.469 4.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.601 2 O3'-P-O5' 92.608 -5.996 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.519 1 O3'-P-O5' 89.657 -7.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.559 2 O4'-C1'-C2' 101.29 -4.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 6.023 1 P-O3'-C3' 125.514 4.845 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 O4'-C4'-C3' 109.432 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.525 1 O5'-C5'-C4' 116.105 4.218 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.645 3.132 2 P-O3'-C3' 125.129 4.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.343 2 P-O3'-C3' 127.674 6.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.134 0 O4'-C4'-C3' 109.443 3.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.492 0 P-O3'-C3' 124.12 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.561 4.253 2 O4'-C4'-C3' 112.168 6.568 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.651 3.626 0 O4'-C4'-C3' 109.491 3.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 2 O4'-C4'-C3' 111.351 5.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.32 1 P-O3'-C3' 126.275 5.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.567 7.005 0 O3'-P-O5' 96.814 -3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.073 3 O4'-C4'-C3' 110.75 5.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.303 0 O4'-C4'-C3' 107.938 2.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.537 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.66 2 O4'-C4'-C3' 112.266 6.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.537 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O3' 1.633 2.152 0 O4'-C4'-C3' 108.651 3.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -61.03 -24.53 66.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.659 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.71 -9.03 59.55 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.72 10.58 5.13 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -66.72 161.99 55.63 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.18 124.04 10.92 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.138 1.892 . . . . 0.0 112.077 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 92.1 m-85 -111.57 160.83 16.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.6 mtp -136.4 157.0 47.83 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.296 169.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.0 t -76.63 151.85 36.06 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.148 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.53 -1.22 38.87 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.673 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.42 125.43 82.99 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-O 120.423 0.154 . . . . 0.0 110.743 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.89 -26.34 57.36 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 122.802 2.335 . . . . 0.0 113.484 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.64 1.45 85.59 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.649 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -133.09 -80.89 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.43 0.292 . . . . 0.0 110.608 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 51.76 32.21 9.19 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.313 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.86 168.5 16.04 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.378 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 159.12 15.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.317 0.579 . . . . 0.0 111.621 -172.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.79 170.15 16.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.973 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -121.63 -46.36 2.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.301 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -91.9 117.62 29.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.416 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.0 pt? -50.66 -41.89 55.96 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.043 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 p -68.08 -45.91 72.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.638 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -30.85 71.9 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.569 0.223 . . . . 0.0 110.426 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.12 -39.75 65.51 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 169.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -58.07 -39.29 78.14 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.41 81.45 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.763 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -57.94 -37.47 74.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.724 0.297 . . . . 0.0 110.584 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.08 -34.68 72.26 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.746 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -55.44 -38.38 68.94 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.525 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -56.25 -43.97 79.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 44.5 m-70 -76.31 -21.3 56.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.678 -172.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.2 p -57.14 -26.85 61.22 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.465 0.174 . . . . 0.0 111.021 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.22 11.24 58.49 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.477 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -121.58 2.99 10.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.365 0.266 . . . . 0.0 111.415 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -69.81 112.88 13.74 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -75.96 120.29 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -127.4 158.42 37.37 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 170.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -132.6 157.72 44.05 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.735 0.303 . . . . 0.0 110.698 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.47 148.79 35.18 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.023 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.13 -15.09 29.98 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' A' ' 61' ' ' HIS . 3.6 m-85 -67.98 126.34 29.16 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.68 66.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.088 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.71 -5.5 56.96 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.4 t -104.68 -77.37 0.58 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.637 0.256 . . . . 0.0 110.578 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 51.01 34.13 10.18 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 122.854 0.461 . . . . 0.0 111.71 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.69 169.57 11.55 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 170.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 150.4 51.68 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 111.046 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -135.45 161.35 35.7 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.284 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 p -107.42 4.94 26.81 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -174.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.98 147.96 27.8 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.984 0.421 . . . . 0.0 110.875 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -42.55 77.37 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -63.06 -39.77 95.72 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.31 -49.42 77.11 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.49 -40.45 97.11 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -65.62 -44.16 87.36 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.494 0.318 . . . . 0.0 111.282 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -61.64 -43.32 99.07 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.65 -36.4 78.59 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.242 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -53.08 -33.53 52.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.284 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -54.94 -33.12 61.93 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 120.421 0.153 . . . . 0.0 110.626 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -62.61 -33.63 75.4 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.496 0.318 . . . . 0.0 111.658 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.49 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.7 m80 -82.83 -44.07 15.91 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -81.25 -22.95 38.35 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.418 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 0.55 28.73 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 121.539 -0.362 . . . . 0.0 112.305 -175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.24 127.3 30.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -124.37 87.17 54.25 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.52 -16.87 9.07 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.522 2.148 . . . . 0.0 112.972 -170.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -90.0 90.39 8.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.576 0.226 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.33 141.44 28.76 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.65 146.17 55.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -79.25 -14.95 58.71 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -75.0 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -172.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -83.4 -6.63 59.52 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.615 0.245 . . . . 0.0 111.35 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 65.05 16.09 10.37 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.738 0.415 . . . . 0.0 111.374 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -68.86 141.33 55.12 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -99.23 139.92 34.16 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.061 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -130.49 155.07 47.08 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.12 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 p -98.17 -8.95 26.53 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.627 -174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -135.21 137.02 42.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 p -61.96 -31.53 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.166 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -66.84 -36.47 82.4 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.164 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.482 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 63.8 m170 -77.04 -34.75 57.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.893 176.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tt -65.6 -47.72 74.75 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.569 0.223 . . . . 0.0 110.535 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -34.34 76.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.541 0.21 . . . . 0.0 110.539 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -66.53 -49.48 66.37 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.754 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -65.55 -29.89 70.57 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.007 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -54.33 -41.27 68.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.492 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.99 -26.69 68.37 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.114 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -65.28 -37.2 86.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.482 0.182 . . . . 0.0 110.806 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -84.76 -20.36 31.18 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.805 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.194 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 18.35 55.38 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 121.41 -0.424 . . . . 0.0 112.358 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.88 104.96 15.29 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.87 81.43 49.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.61 -20.98 4.44 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.663 2.242 . . . . 0.0 112.924 -175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -78.66 77.44 5.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.028 0.442 . . . . 0.0 110.725 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 m -80.36 146.04 31.73 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.3 t -71.75 161.25 31.26 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.146 0.498 . . . . 0.0 110.927 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.26 0.29 10.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.982 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -65.08 156.3 81.2 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 120.915 0.388 . . . . 0.0 111.006 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.02 122.95 11.96 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t 66.35 19.02 10.98 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.909 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.9 t -86.37 170.63 11.84 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.827 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -164.6 21.86 0.06 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.459 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 2.3 mppt? -89.34 139.92 30.02 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 -175.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -128.55 148.57 50.77 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -134.29 159.07 42.12 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.905 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.56 -2.04 45.8 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -132.22 141.13 48.93 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.147 0.499 . . . . 0.0 110.847 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.5 p -57.26 -47.58 81.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.659 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.409 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.65 -41.44 95.0 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 173.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 tp -67.26 -41.07 86.17 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.922 175.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.19 -43.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.156 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.57 -46.62 87.49 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -54.49 -50.09 68.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -56.6 -39.18 73.13 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.847 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -15.59 63.24 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.518 0.199 . . . . 0.0 111.174 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.8 mtt -111.89 4.76 18.5 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.417 0.287 . . . . 0.0 110.915 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.709 0.29 . . . . 0.0 110.977 -173.162 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.919 0 C5'-C4'-C3' 110.859 -2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 C4'-C3'-C2' 105.824 2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.558 3.984 0 C3'-C2'-C1' 97.27 -3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 128' ' ' ' DG' . . . . . . . . 2 P--O5' 1.669 7.649 0 C1'-O4'-C4' 114.368 3.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.482 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 2 O4'--C4' 1.378 -6.158 1 C3'-C2'-C1' 94.289 -6.008 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.444 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 2 C5'--C4' 1.56 6.143 3 C3'-C2'-C1' 93.217 -6.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.3 3 O4'-C4'-C3' 116.083 10.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.733 2 C4'-C3'-C2' 98.559 -4.641 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.398 -2.64 1 O4'-C4'-C3' 110.383 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.544 0 C5'-C4'-C3' 108.885 -3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.363 -5.203 5 O4'-C4'-C3' 112.157 6.557 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.136 0 C4'-C3'-C2' 99.701 -3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.855 0 P-O3'-C3' 123.283 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.039 1 P-O3'-C3' 124.73 4.192 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O5'-C5'-C4' 113.642 2.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.567 1 P-O3'-C3' 125.675 4.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.399 1 P-O3'-C3' 125.865 5.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.533 1 O4'-C4'-C3' 109.993 4.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.131 0 C5'-C4'-O4' 103.727 -3.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 1 O4'-C4'-C3' 109.802 4.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.497 -2.099 2 O4'-C4'-C3' 110.739 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.72 0 O5'-C5'-C4' 114.584 3.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 1 O3'-P-O5' 96.118 -4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.719 1 O4'-C1'-C2' 100.738 -4.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C4'-C3' 109.044 3.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 P-O3'-C3' 124.331 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.5 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C4'-C3' 110.246 4.646 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.5 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.617 2.43 1 O4'-C4'-C3' 110.103 4.503 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 120.692 0.282 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -158.45 12.67 0.18 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.335 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -82.07 -8.84 59.68 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.692 0.282 . . . . 0.0 110.937 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -137.04 -172.71 3.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.971 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -128.3 66.3 72.76 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.44 -45.23 41.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 122.0 1.8 . . . . 0.0 110.967 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -131.91 168.41 17.92 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.852 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -136.39 158.65 43.92 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.8 t -108.65 135.82 49.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.68 59.53 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.705 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 36.5 t80 -72.71 126.7 90.58 Favored Pre-proline 0 CA--C 1.554 1.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.689 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.46 -12.17 31.12 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.722 2.281 . . . . 0.0 113.203 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.48 -5.55 61.68 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 121.442 -0.408 . . . . 0.0 112.413 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 48.9 t -89.12 175.62 7.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.164 0.506 . . . . 0.0 111.264 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -72.47 -24.15 61.14 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.44 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt 72.47 20.69 3.88 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.521 0.728 . . . . 0.0 111.34 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -139.04 141.02 38.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.105 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.492 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 34.9 m-85 -144.96 170.1 16.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.974 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -113.36 -33.89 5.79 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.514 -175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 74.2 mmtt -112.48 131.17 55.71 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.725 0.297 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.47 -51.83 51.71 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.981 178.577 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.425 ' H ' HD22 ' A' ' 21' ' ' LEU . 20.7 p -68.11 -45.99 72.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.753 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.37 -30.11 71.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -42.33 62.55 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.119 169.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -58.01 -39.01 77.26 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.637 0.256 . . . . 0.0 110.407 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -44.34 76.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 20.2 t60 -57.91 -38.65 76.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.816 0.341 . . . . 0.0 110.955 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -58.9 -34.4 71.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.05 64.06 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -56.07 -47.43 77.98 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.63 0.252 . . . . 0.0 110.92 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 33.9 m-70 -68.73 -20.93 64.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -172.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -59.05 -14.98 11.29 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 120.603 0.24 . . . . 0.0 111.108 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 6.64 54.35 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.377 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -133.21 6.65 3.88 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -109.44 86.49 4.39 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-O 120.605 0.241 . . . . 0.0 110.75 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.59 92.12 1.16 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.547 2.164 . . . . 0.0 113.188 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -68.6 172.48 6.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.43 155.65 48.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.627 0.251 . . . . 0.0 110.496 174.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.77 143.6 46.6 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -86.6 -8.51 57.43 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -68.6 122.7 19.04 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.859 0.362 . . . . 0.0 110.427 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -63.72 -9.41 14.14 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -169.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.7 7.67 12.59 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 122.163 0.185 . . . . 0.0 111.382 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 43.2 t -101.37 172.95 6.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.096 0.474 . . . . 0.0 111.006 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -153.1 28.8 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.61 161.22 14.67 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.916 0.389 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -142.64 145.51 33.55 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 61.4 m-85 -137.0 139.57 41.53 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.033 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -74.58 -19.18 60.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -174.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -129.8 152.98 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.039 0.447 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 p -62.59 -28.8 70.14 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.703 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -67.57 -42.9 81.84 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 120.703 0.287 . . . . 0.0 111.119 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.48 -44.73 90.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.361 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.19 -43.74 98.16 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.826 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.48 -45.2 94.1 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.845 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -56.55 -47.5 79.34 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 t60 -60.55 -41.78 95.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -177.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -53.33 -38.71 63.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.981 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -56.87 -33.41 66.8 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.225 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -31.56 70.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.53 -43.26 18.99 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.493 0.187 . . . . 0.0 111.137 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -84.76 -5.89 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.0 10.21 67.93 Favored Glycine 0 CA--C 1.545 1.924 0 C-N-CA 121.669 -0.3 . . . . 0.0 112.981 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.54 114.05 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 120.824 0.345 . . . . 0.0 110.797 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -116.88 87.68 23.03 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.194 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -87.59 -19.26 2.32 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.646 2.231 . . . . 0.0 113.169 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -82.6 98.96 9.27 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -97.99 135.0 40.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.8 132.7 50.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.381 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -69.73 -18.44 63.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 -73.53 0.56 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.93 -5.33 58.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 66.02 17.63 10.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.748 0.419 . . . . 0.0 111.489 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -72.4 146.32 47.08 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -109.64 138.74 45.56 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.099 0.476 . . . . 0.0 111.223 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.56 160.63 32.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.181 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 p -103.73 -0.73 29.02 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -138.73 139.4 38.35 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 110.712 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 p -66.41 -36.14 82.07 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.17 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -67.16 -35.24 79.27 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.6 m-70 -68.59 -45.4 72.09 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.566 173.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.62 -47.61 80.69 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.818 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.97 -39.5 89.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.699 0.285 . . . . 0.0 110.571 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -64.72 -49.88 69.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.65 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -63.08 -38.98 93.32 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.862 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.34 -41.66 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -68.43 -22.9 64.57 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.303 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 p -59.43 -32.39 70.16 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.334 0.111 . . . . 0.0 110.797 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -78.44 -18.7 54.55 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.564 0.221 . . . . 0.0 110.944 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.0 p -96.3 -6.25 38.26 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.485 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.92 40.72 Favored Glycine 0 CA--C 1.554 2.522 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.857 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.41 103.9 2.57 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -121.1 83.69 38.73 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -85.51 -15.8 5.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.72 2.28 . . . . 0.0 112.988 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -83.59 78.32 9.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.927 0.394 . . . . 0.0 110.741 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.8 p -78.79 138.24 38.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.765 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.6 t -70.44 133.11 46.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 173.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.41 -0.7 57.67 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.522 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -67.72 122.42 83.43 Favored Pre-proline 0 CA--C 1.557 1.221 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.08 -50.91 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.75 2.3 . . . . 0.0 112.735 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -79.99 53.53 1.72 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.906 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 104' ' ' LYS . 5.0 t -168.25 -80.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 -178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 52.99 39.61 29.71 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.43 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -74.18 168.89 18.68 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 172.135 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -128.81 142.36 51.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.717 0.294 . . . . 0.0 110.918 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.03 157.82 40.63 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.37 -1.86 43.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.271 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -134.86 142.27 46.57 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.182 0.515 . . . . 0.0 110.942 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 p -57.27 -46.48 83.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -66.38 -33.58 76.03 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.559 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -60.63 -44.39 96.41 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.97 174.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.24 -46.39 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.41 -46.75 88.84 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.513 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -54.74 -49.28 71.18 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.42 -37.77 73.3 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.065 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -72.23 -15.7 61.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.492 0.187 . . . . 0.0 111.124 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.1 mtp -102.01 -1.67 31.28 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.019 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.599 0.238 . . . . 0.0 111.146 -171.331 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.63 0 O4'-C4'-C3' 108.804 3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 P-O3'-C3' 122.422 2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.543 0 C4'-C3'-C2' 99.862 -3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.274 1 O4'-C4'-C3' 110.205 4.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.468 0 C2'-C3'-O3' 101.431 -3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.547 4.458 0 O3'-P-O5' 97.753 -3.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.25 2 O4'-C4'-C3' 110.172 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 109.471 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.616 0 O3'-P-O5' 99.116 -2.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.4 -2.423 2 O4'-C4'-C3' 110.084 4.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 2 C5'-C4'-C3' 107.559 -4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.416 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.548 4.606 1 O4'-C1'-C2' 100.451 -5.136 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . 0.416 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 1 P--O5' 1.642 4.921 0 O5'-C5'-C4' 114.963 3.402 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.937 0 C5'-C4'-C3' 109.067 -3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.381 0 O5'-C5'-C4' 114.665 3.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.979 1 P-O3'-C3' 125.169 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 1 P-O3'-C3' 124.949 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.236 0 P-O3'-C3' 123.892 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.473 -4.452 0 O4'-C4'-C3' 108.356 2.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.593 6.451 4 C4'-C3'-C2' 94.248 -8.952 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.532 -6.111 0 O4'-C4'-C3' 109.314 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.648 3.418 1 O3'-P-O5' 94.657 -4.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 5.044 1 O4'-C4'-C3' 109.798 4.198 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.909 0 O4'-C4'-C3' 109.104 3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.418 1 O3'-P-O5' 96.24 -4.084 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 C5'-C4'-C3' 111.801 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.523 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C5'-C4'-C3' 109.646 -3.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.523 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.985 0 O4'-C4'-C3' 108.316 2.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -154.97 11.83 0.36 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -12.56 36.18 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.03 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -139.66 177.86 7.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.624 0.369 . . . . 0.0 110.37 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.66 63.31 69.36 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.333 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -53.14 -39.92 78.71 Favored 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 122.558 2.172 . . . . 0.0 112.729 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.66 154.46 47.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 120.708 0.289 . . . . 0.0 111.121 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.35 150.39 48.82 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 168.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -66.4 146.18 54.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.169 0.509 . . . . 0.0 111.304 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.91 -4.46 56.52 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.639 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -79.17 134.37 59.43 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.07 145.95 68.98 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.543 2.162 . . . . 0.0 112.204 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.42 -38.81 2.89 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.068 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 -81.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.679 0.276 . . . . 0.0 110.403 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.05 35.94 1.81 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.441 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.63 160.35 29.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 153.83 18.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.297 0.57 . . . . 0.0 111.63 -169.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.433 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 85.4 m-85 -144.85 163.87 32.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.935 -175.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -115.95 -28.41 6.66 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.396 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 7.8 mmpt? -113.01 124.77 53.4 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.675 0.274 . . . . 0.0 110.666 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -49.22 43.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.902 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -67.85 -45.79 73.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.715 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.436 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.0 -31.28 72.38 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.667 0.27 . . . . 0.0 110.481 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -40.76 64.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.028 170.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.29 -38.61 77.37 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.54 89.11 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.691 173.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 52.6 t60 -58.05 -39.33 78.16 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.288 -0.258 . . . . 0.0 110.672 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -59.24 -34.62 72.44 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.534 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -38.24 69.03 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.2 -39.24 72.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.52 0.2 . . . . 0.0 111.048 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -68.35 -21.08 64.75 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.5 p -61.29 -10.47 7.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.044 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.51 12.17 36.02 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -122.17 -50.19 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.805 0.303 . . . . 0.0 111.706 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -46.65 112.47 1.89 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 123.119 0.262 . . . . 0.0 111.572 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.89 81.91 2.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.825 2.35 . . . . 0.0 112.713 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -87.63 93.07 9.32 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.52 144.4 26.06 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.747 0.308 . . . . 0.0 110.727 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 145.43 56.11 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.703 174.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -73.77 -21.49 60.17 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 13.9 m-85 -70.12 129.89 40.63 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.775 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -72.45 -12.22 61.0 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.37 -10.81 39.81 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.025 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.49 -72.95 0.58 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.745 0.307 . . . . 0.0 110.433 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 57.31 16.2 3.0 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 123.0 0.52 . . . . 0.0 111.986 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -84.87 146.28 27.38 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.06 148.24 43.82 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.46 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 43.5 m-85 -127.44 164.67 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.723 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -98.53 -7.62 27.99 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -173.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -138.98 154.35 48.27 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.942 0.401 . . . . 0.0 111.108 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.7 p -61.02 -39.94 91.68 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.139 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -68.48 -34.04 75.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.156 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.37 -45.29 66.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.515 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.64 -47.5 85.96 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 171.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -60.95 -41.65 96.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.105 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -60.37 -47.79 84.55 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 17.8 t60 -60.78 -40.97 94.61 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.076 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.03 -37.01 61.17 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' NH2' ' H ' ' A' ' 64' ' ' VAL . 68.2 mtp85 -55.08 -33.03 62.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -55.77 -31.7 62.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 120.478 0.18 . . . . 0.0 110.849 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 79.9 m-70 -98.03 -33.06 11.32 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.357 176.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 t -148.0 61.5 1.12 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 111.182 -169.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.35 -177.09 33.15 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.116 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 ' H ' ' NH2' ' A' ' 59' ' ' ARG . 26.9 m -132.19 -168.85 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 122.444 0.298 . . . . 0.0 110.542 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -114.87 83.18 9.06 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.718 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.5 -20.56 5.72 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.858 2.372 . . . . 0.0 113.115 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -78.47 88.98 4.43 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -99.79 135.14 41.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.777 0.322 . . . . 0.0 111.001 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.75 131.1 45.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.473 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -69.82 -17.24 63.38 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -75.26 0.47 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.558 0.343 . . . . 0.0 111.03 -175.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.79 -5.46 55.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.223 0.209 . . . . 0.0 111.489 -173.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 68.09 20.7 8.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.849 0.459 . . . . 0.0 111.422 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.29 140.73 58.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 169.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -113.13 140.97 47.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 110.823 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -136.81 158.19 45.02 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.389 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 p -107.79 3.0 24.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -138.81 134.31 33.24 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 110.412 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -68.92 -31.83 71.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.09 -36.26 82.71 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 120.466 0.174 . . . . 0.0 110.83 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.0 m-70 -67.98 -45.3 74.54 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.67 172.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.13 -47.69 81.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.505 0.193 . . . . 0.0 110.82 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.92 -34.42 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 0.0 110.636 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 m -67.77 -49.59 61.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.738 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -61.67 -34.06 75.07 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.871 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 m -54.27 -41.13 68.5 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -62.03 -22.77 65.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.162 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 m -54.5 -37.36 65.22 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.66 0.267 . . . . 0.0 110.878 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -89.54 -24.31 21.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.32 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -91.63 -6.42 52.25 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.4 8.8 52.86 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.694 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.01 98.14 1.25 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.977 0.389 . . . . 0.0 110.808 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -119.93 78.51 23.93 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -83.54 -14.32 8.0 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.751 2.3 . . . . 0.0 113.14 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.05 76.65 10.23 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.853 0.359 . . . . 0.0 110.652 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 48.7 p -84.18 146.0 28.07 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.859 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.39 161.35 30.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.275 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.52 1.47 10.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.182 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -67.63 156.16 89.56 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.95 125.44 17.18 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.737 2.292 . . . . 0.0 112.359 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.8 t 62.94 20.93 12.57 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.058 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -118.84 157.14 28.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.365 0.602 . . . . 0.0 111.191 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -162.17 29.95 0.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.95 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -63.91 136.2 57.16 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 29.5 mtmt -112.08 147.99 34.86 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 111.56 -169.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -134.19 160.83 36.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.537 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.92 3.15 44.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -136.11 140.87 44.03 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.119 0.485 . . . . 0.0 110.792 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 p -57.14 -49.92 74.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.503 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.21 -33.66 75.96 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.73 -43.77 97.49 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -66.23 -40.03 89.99 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.031 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.21 -44.27 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.35 -46.66 87.66 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.645 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -54.38 -49.43 69.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.656 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.82 -39.57 74.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -72.05 -15.56 62.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.506 0.193 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -107.03 5.91 28.5 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.857 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.369 0 CA-C-O 120.72 0.295 . . . . 0.0 111.074 -173.025 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.639 4.613 0 C5'-C4'-C3' 108.866 -3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.137 0 O4'-C1'-C2' 103.666 -2.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 C3'-C2'-C1' 97.429 -3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 C5'-C4'-C3' 108.947 -3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 O3'-P-O5' 99.501 -2.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.45 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.869 0 O4'-C4'-C3' 108.478 2.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 P-O3'-C3' 123.276 2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 1 C4'-C3'-C2' 99.005 -4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.846 2 O4'-C4'-C3' 112.35 6.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.511 0 O4'-C1'-C2' 102.822 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.556 5.652 4 O5'-C5'-C4' 118.523 5.945 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.573 7.788 1 P-O3'-C3' 114.61 -4.241 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.37 -4.654 2 P-O3'-C3' 129.252 7.96 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.648 5.458 1 O3'-P-O5' 95.694 -4.371 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 0 C5'-C4'-O4' 105.381 -2.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.568 3.987 1 P-O3'-C3' 125.404 4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.152 1 O5'-C5'-C4' 118.535 5.953 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 1 O4'-C4'-C3' 110.081 4.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.641 4.776 0 C4'-C3'-C2' 99.837 -3.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.139 1 O4'-C4'-C3' 110.626 5.026 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.746 3 O4'-C4'-C3' 110.546 4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.853 0 O3'-P-O5' 98.551 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.987 1 P-O3'-C3' 124.611 4.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.114 1 O4'-C4'-C3' 110.095 4.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.823 1 O3'-P-O5' 95.993 -4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 1 O4'-C4'-C3' 109.962 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.531 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.626 1 O4'-C4'-C3' 110.06 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.531 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.012 1 O4'-C4'-C3' 109.983 4.383 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 CA-C-O 120.518 0.199 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -78.64 71.79 5.12 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.87 0.367 . . . . 0.0 110.995 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -159.41 162.65 35.79 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.974 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -51.67 -54.67 25.5 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.616 0.246 . . . . 0.0 110.577 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.19 90.25 2.47 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.332 172.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.48 -100.69 0.0 OUTLIER 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -127.4 155.9 42.9 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.708 0.289 . . . . 0.0 110.778 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -136.43 156.76 48.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.62 143.86 53.13 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.3 -4.82 56.89 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.78 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 63.4 t80 -79.09 118.27 71.51 Favored Pre-proline 0 N--CA 1.478 0.972 0 O-C-N 122.392 -0.192 . . . . 0.0 110.649 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.47 101.88 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.624 2.216 . . . . 0.0 111.973 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.02 -38.02 1.83 Allowed Glycine 0 N--CA 1.468 0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.61 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.7 t -85.91 -81.89 0.2 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.0 m120 50.64 31.84 6.22 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 169.44 18.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.103 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -98.64 151.92 20.18 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -137.24 166.47 23.69 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.736 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.91 -41.33 2.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.212 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -94.26 118.71 31.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.501 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.79 -46.13 20.44 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.824 0.345 . . . . 0.0 110.817 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -67.9 -46.01 72.81 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.688 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.84 -29.49 70.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.565 0.222 . . . . 0.0 110.575 -178.053 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -39.57 65.62 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.96 169.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -40.83 82.32 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.38 -48.22 82.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.776 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.04 -38.57 76.5 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.682 0.277 . . . . 0.0 110.823 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 p -59.01 -32.48 69.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -38.2 68.11 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.398 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.2 -45.74 79.71 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.576 0.227 . . . . 0.0 110.815 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.3 m-70 -76.26 -21.28 56.51 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -172.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 p -55.71 -24.53 35.09 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 120.498 0.19 . . . . 0.0 111.086 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 18.08 35.2 Favored Glycine 0 CA--C 1.541 1.69 0 CA-C-N 116.538 -0.301 . . . . 0.0 112.402 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -124.94 5.05 8.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.788 0.294 . . . . 0.0 111.381 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.37 107.45 23.69 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.59 137.05 22.17 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.398 2.066 . . . . 0.0 113.162 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 71.6 m-85 -129.25 165.12 22.03 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.51 150.15 52.2 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -63.55 143.91 57.44 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.66 -2.55 35.18 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.0 131.16 49.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.89 0.376 . . . . 0.0 110.3 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -72.0 4.17 3.7 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.204 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -132.4 12.29 4.55 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 122.167 0.187 . . . . 0.0 111.108 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 46.3 t -103.08 173.85 6.12 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.108 0.48 . . . . 0.0 110.815 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -160.49 28.91 0.16 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 152.66 25.51 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.157 0.503 . . . . 0.0 110.802 -173.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.05 148.01 49.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.751 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.2 m-85 -126.64 164.81 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.146 -173.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 t -108.97 7.25 25.82 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.453 -175.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -153.01 149.78 28.53 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.7 p -58.68 -41.21 85.65 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.99 -39.01 93.16 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -61.4 -49.32 77.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.64 0.257 . . . . 0.0 110.374 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.7 tp -62.12 -45.4 93.65 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.96 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.97 -40.55 93.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.165 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' NH2' ' H42' ' B' ' 132' ' ' ' DC' . 30.7 mtm180 -68.22 -41.2 81.61 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.563 0.22 . . . . 0.0 110.487 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 46.0 t60 -60.71 -37.78 82.84 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.916 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -53.34 -34.71 58.61 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.344 0.257 . . . . 0.0 111.334 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -55.06 -33.22 62.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.564 0.221 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -60.36 -31.9 70.78 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.584 0.354 . . . . 0.0 111.664 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -97.81 -36.45 10.19 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.604 0.24 . . . . 0.0 111.244 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -79.16 -31.3 43.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.08 -1.27 60.21 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 121.715 -0.278 . . . . 0.0 112.843 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.34 137.28 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-O 121.03 0.443 . . . . 0.0 110.958 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -131.05 81.48 66.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.344 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -79.17 -16.35 12.36 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.596 2.197 . . . . 0.0 113.279 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -90.11 97.83 11.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.51 137.25 41.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.127 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.9 t -65.01 138.7 58.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.81 -19.7 62.65 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -99.09 -75.38 0.56 Allowed 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.318 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.5 p -80.16 -7.37 58.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.492 0.317 . . . . 0.0 111.359 -175.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 64.25 21.25 12.47 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.406 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -71.97 141.14 49.4 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.1 142.18 40.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.061 0.458 . . . . 0.0 111.182 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.02 163.53 29.03 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 m -109.13 1.9 20.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.64 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -138.83 132.9 31.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.833 0.349 . . . . 0.0 110.617 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 p -63.34 -34.0 76.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.54 -38.38 90.92 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 120.652 0.263 . . . . 0.0 111.023 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 65.8 m170 -74.97 -35.3 62.07 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.992 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 tt -65.46 -47.68 75.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -61.1 -38.93 88.04 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.764 0.316 . . . . 0.0 110.469 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.2 m -64.08 -49.46 72.18 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -61.41 -36.73 81.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.92 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -54.36 -41.24 68.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.753 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.69 -22.94 67.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -60.21 -27.07 66.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.574 0.226 . . . . 0.0 110.729 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -93.53 -26.21 17.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.211 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -91.68 -6.35 52.22 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.19 10.49 41.33 Favored Glycine 0 CA--C 1.549 2.173 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.518 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.76 100.14 1.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.005 0.431 . . . . 0.0 110.799 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.29 82.41 45.69 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.503 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -84.78 -15.51 5.87 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.734 2.29 . . . . 0.0 113.003 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -85.98 79.62 9.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -83.75 143.73 29.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.6 t -70.35 157.71 37.27 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.087 169.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -135.54 16.18 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.189 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.43 ' C ' ' H ' ' A' ' 101' ' ' SER . 6.6 m95 -56.78 153.22 23.17 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.531 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.48 22.67 0.23 Allowed 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 122.934 2.422 . . . . 0.0 113.179 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.43 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.2 m -163.22 27.73 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.707 176.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.41 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 32.2 t -143.26 164.64 29.66 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.239 0.542 . . . . 0.0 111.608 -176.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.64 27.42 0.1 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.019 170.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.41 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 41.1 mtmt -73.69 154.83 39.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.165 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.54 148.22 50.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.032 0.444 . . . . 0.0 111.56 -170.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -133.41 159.09 41.36 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.583 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.3 2.14 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -135.49 141.59 45.33 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.155 0.502 . . . . 0.0 110.917 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -57.42 -49.77 75.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.625 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.7 -33.68 76.18 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.518 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.6 -43.92 96.86 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.06 -39.64 90.25 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.039 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.18 -46.43 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 120.738 0.304 . . . . 0.0 110.193 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.64 -46.47 88.08 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.661 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -55.8 -48.0 76.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -56.66 -33.73 66.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.535 0.207 . . . . 0.0 110.685 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -17.53 63.27 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.329 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.41 -19.48 59.49 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.501 0.191 . . . . 0.0 110.932 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.345 0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 110.455 178.106 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.687 0 C3'-C2'-C1' 97.763 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.938 0 O3'-P-O5' 97.367 -3.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.496 0 C3'-C2'-C1' 98.566 -2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.264 3 P-O3'-C3' 126.684 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 O4'-C4'-C3' 108.156 2.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.428 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.924 0 O4'-C4'-C3' 108.401 2.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 1 P-O3'-C3' 125.323 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.121 0 O4'-C1'-C2' 102.334 -3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . 0.47 ' H42' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.606 3 O4'-C1'-C2' 100.086 -5.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.591 10.053 0 O3'-P-O5' 97.708 -3.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.72 2 O4'-C1'-C2' 99.239 -6.237 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.553 -3.983 0 C5'-C4'-C3' 109.24 -3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.354 -8.381 4 O4'-C1'-C2' 98.743 -6.689 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.642 4.915 0 O3'-P-O5' 96.696 -3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.997 0 O5'-C5'-C4' 115.497 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.319 1 P-O3'-C3' 124.946 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.395 -4.649 0 O4'-C4'-C3' 109.325 3.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.271 0 O3'-P-O5' 96.824 -3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C4'-C3' 109.111 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.955 2 C5'-C4'-C3' 106.853 -5.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.578 0 C4'-C3'-C2' 99.682 -3.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C4'-C3' 108.622 3.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.709 1 O4'-C4'-C3' 109.631 4.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.412 0 C5'-C4'-C3' 108.752 -3.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 0 O4'-C4'-C3' 109.52 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 C5'-C4'-C3' 110.283 -2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.553 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O3' 1.641 2.858 0 O4'-C1'-C2' 102.169 -3.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.553 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.359 0 C3'-C2'-C1' 97.406 -3.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.827 0 CA-C-O 120.627 0.251 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -79.97 30.43 0.26 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 122.518 0.327 . . . . 0.0 111.39 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.13 52.59 0.9 Allowed 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.962 0.411 . . . . 0.0 110.83 -172.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -72.14 -27.43 62.61 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.338 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -158.95 164.77 20.04 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 122.432 0.293 . . . . 0.0 110.343 -176.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -69.02 149.63 71.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.116 1.877 . . . . 0.0 111.919 170.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 92.7 m-85 -132.37 158.68 41.31 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.51 154.97 50.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -65.67 142.29 58.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.896 0.379 . . . . 0.0 111.192 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.94 4.16 47.28 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.725 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -69.01 123.8 88.96 Favored Pre-proline 0 CA--C 1.546 0.801 0 O-C-N 122.451 -0.155 . . . . 0.0 110.795 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.44 99.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.407 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.85 -30.98 4.25 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.035 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 t -81.06 171.27 15.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.31 0.576 . . . . 0.0 110.815 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 23.68 0.05 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.275 175.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -74.89 139.03 42.84 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -175.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -98.78 152.51 19.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.767 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -142.04 167.75 21.37 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 -174.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -116.68 -42.46 2.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.794 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -90.38 119.88 31.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.504 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 40.5 tp -47.34 -43.93 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 172.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 p -68.09 -46.27 71.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.295 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -29.28 67.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.262 -177.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -38.94 65.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 169.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -58.02 -39.99 79.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 174.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -46.84 85.96 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -58.06 -39.05 77.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 120.722 0.296 . . . . 0.0 110.436 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p -59.25 -34.7 72.54 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -55.76 -38.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -39.82 73.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.607 0.241 . . . . 0.0 110.469 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -81.22 -22.59 38.68 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.825 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -61.69 -22.5 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.437 0.161 . . . . 0.0 110.611 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.23 18.53 38.95 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.281 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.18 -41.32 3.52 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.716 0.258 . . . . 0.0 111.325 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -43.45 106.7 0.51 Allowed Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.907 0.483 . . . . 0.0 111.568 -173.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.43 95.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.766 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -88.99 172.26 9.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -129.37 152.87 48.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.0 170.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.7 136.24 17.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.71 -9.96 59.06 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.246 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.67 117.61 12.41 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.815 0.341 . . . . 0.0 110.297 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -60.32 -15.15 22.75 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -170.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -109.21 9.52 25.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 122.168 0.187 . . . . 0.0 111.353 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 45.8 t -108.07 156.69 18.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.15 0.5 . . . . 0.0 111.005 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -132.33 19.89 4.39 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.839 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -82.63 135.55 35.02 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.739 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -119.23 145.02 46.41 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.786 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.3 m-85 -130.68 139.4 50.32 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.394 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -89.82 3.14 53.84 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -144.92 143.27 30.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.128 0.49 . . . . 0.0 110.998 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -40.98 82.39 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.309 -175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -33.94 73.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -41.47 81.71 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.567 0.222 . . . . 0.0 110.525 176.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.98 -47.52 86.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 171.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -60.42 -33.6 72.75 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.065 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.62 -44.42 70.7 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.552 172.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.66 -36.63 79.18 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.948 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -53.02 -38.2 62.17 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -55.31 -33.33 63.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.426 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.525 ' CD ' " H3'" ' B' ' 129' ' ' ' DG' . 0.0 OUTLIER -63.88 -31.8 73.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 120.385 0.136 . . . . 0.0 111.341 -179.478 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -92.8 -34.74 13.75 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.634 0.254 . . . . 0.0 111.108 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -83.1 -28.61 29.36 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.318 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.01 -5.38 41.26 Favored Glycine 0 CA--C 1.545 1.967 0 C-N-CA 121.719 -0.277 . . . . 0.0 113.056 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.43 143.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-O 121.153 0.501 . . . . 0.0 111.011 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -134.33 79.78 54.12 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.292 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.77 -21.37 11.22 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.714 2.276 . . . . 0.0 113.395 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -82.51 97.12 8.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -97.21 136.78 37.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.689 0.28 . . . . 0.0 111.065 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.77 136.15 56.59 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -67.32 -22.65 65.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.34 -76.12 0.53 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.284 -169.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 -5.36 59.2 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.511 0.196 . . . . 0.0 111.323 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 64.62 23.65 12.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.724 0.41 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -64.68 164.49 11.93 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -130.0 135.88 48.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 111.05 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -130.29 162.54 28.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.372 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 m -108.82 6.1 25.18 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -140.33 130.35 24.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.754 0.312 . . . . 0.0 110.463 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.6 p -67.44 -32.18 72.86 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.51 -35.93 81.47 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.874 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.2 m-70 -69.11 -44.06 73.21 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.669 173.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.08 -47.63 76.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.431 0.158 . . . . 0.0 110.827 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -63.73 -34.47 77.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.626 0.25 . . . . 0.0 110.568 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.6 m -65.73 -49.47 68.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.702 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -62.26 -34.35 76.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.949 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.7 m -55.4 -41.3 72.51 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.776 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -65.52 -23.12 66.8 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.279 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -69.07 -30.88 69.3 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 120.448 0.166 . . . . 0.0 110.875 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -88.2 -22.72 23.86 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.669 0.271 . . . . 0.0 110.772 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 m -91.8 -6.0 52.49 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 -175.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.23 13.02 52.73 Favored Glycine 0 CA--C 1.545 1.92 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.39 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.27 98.07 5.04 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.949 0.404 . . . . 0.0 110.702 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.53 82.56 33.09 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -85.78 -19.36 3.4 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 122.784 2.323 . . . . 0.0 112.963 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.45 78.79 5.95 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 110.804 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 m -82.82 145.24 29.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 36.8 t -70.4 144.22 51.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -111.43 5.25 19.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.145 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -59.04 146.75 76.46 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.564 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.54 48.15 2.06 Favored 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 123.019 2.479 . . . . 0.0 112.671 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -176.35 -22.65 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 22.4 t -86.06 171.88 11.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.475 0.655 . . . . 0.0 111.544 -173.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -162.02 26.74 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.133 175.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 151.52 35.59 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -128.62 147.92 50.76 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.846 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -133.08 159.57 39.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.722 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.89 0.65 46.99 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -136.88 139.62 41.76 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.76 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -58.29 -43.22 87.96 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.31 -33.77 75.98 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.487 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.76 -43.27 98.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.0 tp -65.3 -40.43 93.8 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.94 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.24 -44.71 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.25 -46.7 87.65 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.626 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -54.39 -49.32 70.16 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.66 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -57.61 -38.85 75.63 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.135 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -71.76 -15.6 62.18 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -106.94 4.78 27.61 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.345 0.392 0 CA-C-O 120.69 0.281 . . . . 0.0 110.956 -173.005 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.149 0 O4'-C4'-C3' 109.103 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.639 2.688 0 O4'-C4'-C3' 108.792 3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 C3'-C2'-C1' 97.079 -4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O4'-C4'-C3' 109.095 3.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 C5'-C4'-C3' 109.21 -3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.525 " H3'" ' CD ' ' A' ' 60' ' ' ARG . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 110.904 -2.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.563 1 P-O3'-C3' 126.5 5.667 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.038 0 O4'-C4'-C3' 108.784 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.963 1 P-O3'-C3' 124.59 4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . 0.408 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 3 C5'--C4' 1.575 7.987 0 P-O3'-C3' 123.977 3.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.408 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 0 P--O5' 1.63 3.721 2 C4'-C3'-C2' 97.833 -5.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.149 2 O4'-C1'-C2' 98.829 -6.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.891 0 C5'-C4'-C3' 109.261 -3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.69 1 P-O3'-C3' 126.018 5.265 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.886 0 O4'-C1'-C2' 108.596 2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.376 1 P-O3'-C3' 124.928 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 1 P-O3'-C3' 125.381 4.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.558 0 O3'-P-O5' 99.37 -2.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.18 0 O4'-C4'-C3' 109.419 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.363 1 C4'-C3'-C2' 98.448 -4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.067 0 O4'-C4'-C3' 108.842 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.465 1 O4'-C4'-C3' 109.665 4.065 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.045 1 O4'-C1'-C2' 100.879 -4.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.966 1 O4'-C4'-C3' 110.265 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.084 1 P-O3'-C3' 124.713 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.529 1 O4'-C4'-C3' 111.144 5.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.511 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.849 0 O4'-C4'-C3' 109.454 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.511 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.944 0 O4'-C4'-C3' 108.538 2.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.92 0 CA-C-O 120.616 0.246 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -161.03 -177.41 6.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.782 0.325 . . . . 0.0 110.496 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.78 -16.74 62.2 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.11 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.64 101.65 11.66 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -104.93 99.57 19.78 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.039 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -67.8 -23.76 41.3 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.601 2.201 . . . . 0.0 113.849 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.57 159.28 16.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.322 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.9 ptm -136.62 158.62 44.01 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.34 169.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 t -76.89 139.53 40.27 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.68 -1.95 57.85 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.761 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.37 128.77 81.71 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.15 -18.66 51.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.723 2.282 . . . . 0.0 113.22 -172.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.06 -2.65 85.83 Favored Glycine 0 CA--C 1.544 1.891 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.318 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.8 t -121.24 -78.23 0.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.511 0.325 . . . . 0.0 110.628 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.15 20.56 8.56 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.183 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.38 171.43 14.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 120.6 0.238 . . . . 0.0 110.529 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -106.46 156.68 18.3 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.168 0.509 . . . . 0.0 111.578 -170.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -143.94 167.82 21.43 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.255 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.71 -44.85 3.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 76.5 tttt -97.23 122.18 39.96 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.581 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.2 tp -46.49 -47.03 19.4 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.658 0.265 . . . . 0.0 110.605 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -68.03 -45.94 72.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.874 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.91 -29.93 69.94 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.312 -177.597 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -39.18 65.74 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 169.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -42.25 84.93 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.72 -43.63 95.95 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.785 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.03 -35.71 71.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.516 0.198 . . . . 0.0 110.761 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -59.12 -35.01 72.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.764 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -55.72 -38.17 69.38 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.628 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -44.42 79.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.626 0.251 . . . . 0.0 110.679 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -72.57 -21.27 61.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -172.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -53.55 -41.64 66.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 49' ' ' SER . . . -55.72 -30.77 57.05 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.477 174.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -98.76 18.53 16.74 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.818 0.447 . . . . 0.0 111.506 -173.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -112.96 83.29 5.88 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-O 120.638 0.256 . . . . 0.0 110.487 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.63 88.82 1.26 Allowed 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.772 2.315 . . . . 0.0 112.799 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 10.9 m-85 -75.26 100.58 4.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.414 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 2.4 tt0 -88.01 144.86 26.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.61 148.38 42.62 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.923 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -102.94 -1.13 29.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.102 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -57.82 142.12 46.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.002 0.429 . . . . 0.0 110.717 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -12.08 43.02 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.074 -169.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -133.96 35.39 3.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.647 0.26 . . . . 0.0 111.029 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.39 164.62 26.72 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.166 0.508 . . . . 0.0 111.025 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -155.37 19.64 0.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.555 175.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.84 139.29 40.26 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -125.25 134.75 52.19 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -178.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -118.57 139.38 51.56 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 64.7 m -83.88 42.81 0.88 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.42 144.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 120.948 0.404 . . . . 0.0 110.667 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -60.28 -44.57 95.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.965 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.44 -33.98 77.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.214 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.65 -42.93 77.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -61.97 -45.02 95.5 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.549 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.89 -36.9 84.86 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.522 0.201 . . . . 0.0 111.106 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -64.21 -45.93 86.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.815 0.34 . . . . 0.0 110.149 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -60.76 -36.95 80.23 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.374 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.27 -33.72 54.28 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.177 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.5 mmp_? -55.06 -33.16 62.49 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.395 0.141 . . . . 0.0 110.777 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.67 -38.79 86.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.437 0.295 . . . . 0.0 111.368 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.12 -35.53 14.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.608 0.242 . . . . 0.0 111.169 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -78.39 -23.41 46.81 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.082 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.39 0.08 61.33 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 121.577 -0.344 . . . . 0.0 112.466 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.41 121.07 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.576 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.94 88.38 50.69 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.13 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.42 -18.17 7.2 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.537 2.158 . . . . 0.0 113.17 -170.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.93 92.55 8.33 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.18 134.04 34.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.689 0.28 . . . . 0.0 110.833 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.8 t -64.79 129.6 40.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 171.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.38 -20.26 63.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -72.64 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.1 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.37 -2.61 57.98 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -173.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 64.21 22.02 12.72 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.654 0.381 . . . . 0.0 111.419 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -65.66 163.44 16.38 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 170.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.6 135.19 53.82 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.852 0.358 . . . . 0.0 110.591 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.22 159.33 36.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.4 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 p -103.26 -3.24 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.344 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -138.09 132.09 31.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p -63.5 -35.21 79.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.82 -35.21 80.04 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.039 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.456 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -70.2 -42.98 71.63 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.74 173.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.36 -47.69 75.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.436 0.16 . . . . 0.0 110.715 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.657 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -65.18 -49.42 69.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.644 0.259 . . . . 0.0 110.665 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.33 -33.64 75.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -55.35 -41.34 72.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -64.98 -23.13 67.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.278 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 p -68.69 -32.6 72.53 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 120.417 0.151 . . . . 0.0 110.789 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -85.14 -24.2 28.09 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 120.645 0.26 . . . . 0.0 110.657 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 m -91.76 -6.19 52.27 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.169 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.56 14.95 52.14 Favored Glycine 0 CA--C 1.547 2.037 0 C-N-CA 121.527 -0.368 . . . . 0.0 112.492 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -78.84 101.02 7.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.895 0.379 . . . . 0.0 110.685 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -122.02 81.84 43.44 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.03 -15.56 5.55 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.73 2.287 . . . . 0.0 113.1 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.44 78.53 9.8 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.9 t -78.88 146.05 33.81 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 t -70.44 161.2 30.97 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.065 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.67 3.74 5.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.899 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -62.73 145.95 95.1 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.3 13.24 0.55 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.918 2.412 . . . . 0.0 113.128 -174.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -143.55 17.8 1.85 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.022 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.623 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 17.0 t -130.66 171.84 12.62 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.309 0.575 . . . . 0.0 111.391 -175.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -167.09 26.58 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.271 179.222 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.623 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.6 mppt? -88.01 156.02 19.52 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.8 0.333 . . . . 0.0 110.626 -176.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -128.57 147.96 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -131.99 159.01 39.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.763 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.39 -0.65 45.95 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.1 141.98 46.15 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 110.808 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.0 p -57.27 -49.36 76.31 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.606 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.43 -33.6 75.9 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.421 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.73 -43.83 97.41 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 173.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.76 -41.25 92.33 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.978 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.3 t -58.23 -47.31 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -62.01 -46.72 87.98 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.675 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.37 -47.58 81.28 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.957 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -56.82 -33.71 67.0 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.546 0.212 . . . . 0.0 110.842 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -15.79 63.64 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.216 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 80.5 mtp -84.01 -16.16 44.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.015 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.347 0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 176.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 0 C5'-C4'-C3' 110.02 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C4'-C3' 110.495 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.964 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 O3'-P-O5' 100.425 -1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-C2' 102.776 -3.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.456 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.009 1 C5'-C4'-O4' 102.228 -4.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.939 2 O4'-C4'-C3' 111.163 5.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.559 0 O4'-C1'-C2' 103.157 -2.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.623 2 O3'-P-O5' 95.644 -4.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 C5'-C4'-C3' 119.197 2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 8.058 1 O3'-P-O5' 94.151 -5.184 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.701 1 C5'-C4'-C3' 105.721 -5.986 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.552 5.139 0 O4'-C4'-C3' 109.307 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.954 1 O3'-P-O5' 94.04 -5.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.697 2 O4'-C4'-C3' 110.879 5.279 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.5 1 P-O3'-C3' 124.859 4.299 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.455 0 P-O3'-C3' 124.166 3.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.087 0 P-O3'-C3' 124.085 3.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.256 0 C3'-C2'-C1' 97.327 -3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.557 3.878 1 C4'-C3'-C2' 98.465 -4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.849 0 C3'-C2'-C1' 107.578 3.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.481 1 O4'-C4'-C3' 110.668 5.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 2 P-O3'-C3' 127.163 6.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.408 3 O4'-C4'-C3' 110.153 4.553 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.767 1 P-O3'-C3' 124.595 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.496 1 O5'-C5'-C4' 115.803 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.513 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.751 0 C5'-C4'-C3' 108.969 -3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.513 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.294 2 O4'-C4'-C3' 110.057 4.457 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.916 0 CA-C-O 120.652 0.263 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -152.58 128.96 10.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.547 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.68 -1.85 57.85 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 57.87 22.12 8.32 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 122.757 0.423 . . . . 0.0 111.366 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 155.0 93.99 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.747 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.56 -51.62 5.92 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.591 2.194 . . . . 0.0 112.218 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.97 151.58 49.17 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.819 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 ptm -136.57 155.69 49.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.4 t -61.76 125.96 25.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 111.011 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.84 9.13 36.62 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.54 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 76.0 t80 -67.13 135.76 93.85 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 175.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.76 88.86 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.418 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -31.26 2.43 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.856 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.2 t -78.32 177.66 8.28 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.274 0.559 . . . . 0.0 110.952 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -171.41 16.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.434 -178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 145.77 37.72 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.63 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 152.0 20.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.277 0.56 . . . . 0.0 111.364 -173.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -144.81 162.3 37.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.976 -176.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -121.11 -22.32 6.14 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.4 mppt? -115.76 115.61 26.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.377 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 tp -45.75 -43.83 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 120.787 0.327 . . . . 0.0 111.018 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -68.09 -45.87 72.56 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.24 -29.43 70.22 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.74 0.305 . . . . 0.0 110.428 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -38.35 66.01 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 170.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.27 -38.6 80.52 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -49.31 78.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.623 173.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 120.689 0.28 . . . . 0.0 110.64 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -59.45 -35.3 73.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -38.6 70.79 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.763 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -57.02 -41.63 78.92 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.532 0.206 . . . . 0.0 110.707 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 13.6 m-70 -64.15 -21.12 66.43 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -173.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -52.16 -25.27 8.62 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.47 3.96 37.25 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.625 -0.321 . . . . 0.0 112.935 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.32 -43.14 34.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.138 0.469 . . . . 0.0 110.647 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -149.33 84.07 6.3 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.272 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.33 153.47 74.2 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.369 2.046 . . . . 0.0 112.141 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -74.45 175.35 7.82 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.499 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.4 157.87 43.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 170.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.49 131.76 24.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.94 -4.66 53.38 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -67.81 -22.23 65.18 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.134 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 70.63 -44.61 0.58 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 123.976 0.91 . . . . 0.0 111.671 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.75 -18.49 65.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.9 150.11 28.17 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.676 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 20.83 4.33 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.914 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -66.91 140.68 57.78 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.037 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -107.6 147.25 30.86 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 111.131 -172.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.6 m-85 -134.61 139.24 45.19 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.74 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p -85.54 -5.88 59.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.623 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -138.13 141.31 40.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.936 0.398 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -58.6 -37.72 76.45 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.039 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.51 -33.9 74.95 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.325 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -70.13 -35.24 73.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.5 0.19 . . . . 0.0 110.569 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.0 tp -67.91 -43.64 78.77 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.588 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -62.01 -39.77 93.4 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.702 0.287 . . . . 0.0 110.834 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -62.01 -47.44 84.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.257 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.3 t60 -60.77 -39.61 89.45 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -53.09 -38.43 62.55 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.543 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.44 63.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.112 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -55.83 -45.6 78.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.085 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -77.78 -24.25 48.96 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.185 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.0 p -74.93 -29.62 61.01 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.929 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.54 -7.95 29.67 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 116.531 -0.304 . . . . 0.0 112.503 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.82 137.31 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.958 0.409 . . . . 0.0 110.679 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.76 85.97 58.26 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.02 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.06 -20.03 10.35 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.74 2.293 . . . . 0.0 113.341 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -79.4 82.69 5.51 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.763 0.316 . . . . 0.0 110.401 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.19 127.72 36.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.202 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.423 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 42.3 t -68.8 131.53 45.3 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.45 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -77.17 -13.49 59.94 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.269 176.546 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.14 -70.54 0.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.314 0.246 . . . . 0.0 110.873 -174.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.84 0.38 57.48 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.388 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 61.13 29.71 19.0 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.526 0.33 . . . . 0.0 110.975 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.506 ' NH1' ' H ' ' A' ' 75' ' ' LYS . 8.0 mmm180 -75.49 161.31 29.31 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.313 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' H ' ' NH1' ' A' ' 74' ' ' ARG . 62.4 mttp -133.54 128.16 34.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.706 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -121.98 162.35 21.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.7 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 p -107.15 -4.29 19.0 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -137.72 134.62 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.82 0.343 . . . . 0.0 110.594 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 p -63.77 -32.49 74.01 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -63.8 -34.98 79.12 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 120.679 0.276 . . . . 0.0 111.039 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 66.5 m170 -77.21 -37.94 52.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.852 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.44 -47.61 81.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.628 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.63 -36.9 85.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.57 0.224 . . . . 0.0 110.671 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.4 m -64.62 -49.75 69.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.644 0.259 . . . . 0.0 110.505 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -63.66 -32.81 74.41 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.986 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 56.6 m -54.34 -40.83 68.42 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.545 0.338 . . . . 0.0 110.774 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -62.0 -22.57 65.8 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.066 -177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -38.85 66.52 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 120.667 0.27 . . . . 0.0 110.768 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.46 -27.69 29.31 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.226 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 p -91.71 -6.28 52.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.6 40.83 Favored Glycine 0 CA--C 1.549 2.209 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.569 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -70.47 100.27 1.75 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -120.61 84.47 36.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.9 -14.84 5.05 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.743 2.295 . . . . 0.0 112.992 -174.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.12 77.88 9.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.7 t -78.77 146.06 34.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.794 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.29 161.23 30.75 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 170.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.65 3.93 6.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.802 -176.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.417 ' C ' ' H ' ' A' ' 101' ' ' SER . 11.1 m95 -62.33 148.74 89.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.56 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.69 22.54 0.29 Allowed 'Trans proline' 0 CA--C 1.55 1.319 0 C-N-CA 122.956 2.437 . . . . 0.0 113.083 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 99' ' ' TRP . 47.7 t -154.68 19.27 0.46 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.106 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.32 151.67 42.19 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 121.157 0.503 . . . . 0.0 111.613 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -144.36 24.92 1.56 Allowed 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.932 170.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 36.7 mtmm -74.28 145.8 43.72 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.216 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -128.44 134.01 48.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.314 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.37 165.13 12.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.648 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.35 3.11 40.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -136.24 141.12 43.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.198 0.523 . . . . 0.0 110.704 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 p -57.13 -50.28 73.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.511 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.17 -33.6 75.83 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.68 -43.66 97.46 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.8 -40.43 91.9 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.944 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.17 -46.31 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.07 -46.6 89.98 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.712 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.432 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 45.0 t60 -54.39 -49.57 69.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.796 -0.184 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -56.67 -39.68 74.2 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.787 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -15.83 63.61 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.569 0.224 . . . . 0.0 111.199 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 mtt -114.75 13.08 17.2 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.774 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.372 0 CA-C-O 120.723 0.297 . . . . 0.0 110.923 -174.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.644 0 C5'-C4'-C3' 111.149 -2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.527 1 O4'-C4'-C3' 109.758 4.158 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O4'-C4'-C3' 108.906 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 P-O3'-C3' 123.551 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.454 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.628 3.462 1 C5'-C4'-C3' 106.86 -5.227 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.423 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 P--O5' 1.66 6.714 0 P-O3'-C3' 123.942 3.535 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.558 0 P-O3'-C3' 122.43 2.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.307 0 O4'-C4'-C3' 108.897 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.266 1 O4'-C4'-C3' 110.042 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.381 -3.865 0 P-O3'-C3' 123.152 2.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.63 2 C5'-C4'-O4' 116.261 4.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.973 0 O4'-C1'-C2' 102.174 -3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.868 1 C5'-C4'-C3' 108.666 -4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.45 1 O5'-C5'-C4' 115.968 4.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.416 0 O4'-C4'-C3' 108.947 3.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.639 4.641 1 P-O3'-C3' 126.671 5.809 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.32 0 P-O3'-C3' 123.897 3.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.96 0 P-O3'-C3' 124.401 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.935 0 C5'-C4'-C3' 110.14 -3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.049 4 C4'-C3'-C2' 97.878 -5.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.431 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C4'-C3' 111.943 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . 0.431 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.402 0 O4'-C4'-C3' 108.894 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.55 3.208 1 O4'-C1'-C2' 98.224 -7.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.651 2 O4'-C4'-C3' 110.666 5.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.428 1 O3'-P-O5' 96.112 -4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.15 0 C5'-C4'-C3' 109.271 -3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.513 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.399 -2.49 1 O4'-C4'-C3' 110.408 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.513 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 P--O5' 1.64 4.664 2 C4'-C3'-C2' 97.43 -5.77 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.477 ' N ' HH12 ' A' ' 5' ' ' ARG . . . . . . . . 0 CA--C 1.551 1.019 0 CA-C-O 120.624 0.25 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -133.72 15.31 3.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.179 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -118.74 163.27 17.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.718 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -66.78 141.81 57.58 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.16 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.477 HH12 ' N ' ' A' ' 1' ' ' ALA . 21.1 mtp85 -129.68 79.73 73.0 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.413 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.41 -49.18 17.79 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.429 2.086 . . . . 0.0 111.719 170.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -126.01 163.27 23.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.199 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.1 mtp -136.24 158.69 43.83 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.771 0.32 . . . . 0.0 110.321 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 t -72.48 142.76 48.57 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.998 173.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.06 -1.67 58.14 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.771 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 81.9 t80 -80.88 123.5 82.2 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 122.362 -0.211 . . . . 0.0 110.569 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.21 -25.89 58.02 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.884 2.389 . . . . 0.0 113.593 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.2 -5.8 79.47 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.496 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.1 t -114.42 -77.97 0.58 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 122.494 0.318 . . . . 0.0 110.465 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 57.82 19.47 5.71 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -79.33 164.45 24.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 120.62 0.248 . . . . 0.0 110.362 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 155.98 17.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.263 0.554 . . . . 0.0 111.969 -169.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -142.01 170.1 16.35 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.776 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -117.06 -46.26 2.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.571 0.224 . . . . 0.0 111.23 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -91.79 116.41 28.88 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.477 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -48.25 -43.15 32.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.135 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 p -68.05 -46.04 72.22 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.736 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -30.43 71.48 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.617 0.246 . . . . 0.0 110.395 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -39.77 65.39 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 170.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -58.16 -41.13 83.13 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -48.15 82.24 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.745 173.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.98 -41.04 82.13 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.712 0.291 . . . . 0.0 110.812 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -59.01 -34.57 72.03 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -38.38 68.65 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -56.33 -45.4 80.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.1 m-70 -71.74 -20.96 61.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.8 p -52.36 -20.38 2.74 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.21 17.94 16.43 Favored Glycine 0 CA--C 1.551 2.311 0 C-N-CA 121.691 -0.29 . . . . 0.0 112.555 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.41 1.86 14.51 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.868 0.334 . . . . 0.0 111.475 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -118.64 100.15 51.22 Favored Pre-proline 0 N--CA 1.476 0.835 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.12 162.73 25.78 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.574 2.183 . . . . 0.0 113.216 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -133.77 178.56 6.85 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.439 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -131.41 152.75 50.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.752 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.0 t -50.16 131.03 23.45 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.012 0.434 . . . . 0.0 111.051 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.61 0.77 25.07 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.324 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.59 -12.06 59.53 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 122.252 0.221 . . . . 0.0 111.179 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 73.21 -51.18 0.71 Allowed 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 123.496 0.718 . . . . 0.0 111.48 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -77.79 -2.51 36.75 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.008 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 31.5 t -100.77 148.37 24.99 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.121 0.486 . . . . 0.0 110.884 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -121.24 23.99 10.23 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.943 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -87.57 133.57 33.77 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.71 147.1 40.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.499 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -130.76 139.31 50.23 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.522 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 p -84.65 -7.05 59.37 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -141.32 151.72 43.83 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.993 0.425 . . . . 0.0 110.97 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -42.52 87.03 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.685 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.98 -39.44 92.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.094 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.5 -46.93 87.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.79 -45.01 96.04 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -60.58 -44.9 95.7 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.085 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.43 -46.6 83.37 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 173.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.85 -36.89 80.3 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.376 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.45 -38.15 63.29 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.444 0.164 . . . . 0.0 110.892 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -55.46 -33.31 63.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.445 0.164 . . . . 0.0 111.081 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -64.07 -31.76 73.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.346 0.258 . . . . 0.0 111.439 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -94.34 -36.57 11.89 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 120.661 0.267 . . . . 0.0 111.078 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -78.37 -23.58 46.82 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.076 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.65 -7.3 41.59 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 121.718 -0.277 . . . . 0.0 112.945 173.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.04 138.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.991 0.425 . . . . 0.0 110.817 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -128.9 84.2 63.85 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.1 -19.19 10.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.706 2.271 . . . . 0.0 113.265 -170.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -84.49 95.1 8.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 120.581 0.229 . . . . 0.0 110.432 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -98.89 135.18 40.69 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.727 0.299 . . . . 0.0 111.032 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.8 t -65.08 146.92 54.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 169.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -90.72 -9.16 47.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -70.57 0.71 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.6 0.36 . . . . 0.0 110.78 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.7 -7.79 58.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.599 0.237 . . . . 0.0 111.306 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 65.47 18.48 11.31 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.826 0.451 . . . . 0.0 111.378 -178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -74.71 158.0 34.31 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.58 141.84 48.91 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.06 160.33 37.5 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.215 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -104.94 -3.62 23.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -135.7 130.1 33.71 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.82 0.343 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -60.31 -33.71 72.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.266 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.99 -35.04 79.49 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.21 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 65.9 m170 -76.52 -34.24 58.57 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.788 -0.187 . . . . 0.0 110.903 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 tt -67.41 -47.72 69.42 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.512 0.196 . . . . 0.0 110.558 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.89 -34.43 77.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.0 m -67.3 -49.45 64.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.708 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.45 -30.6 71.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.019 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.5 m -54.32 -40.98 68.48 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.591 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -62.2 -25.24 67.68 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.473 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -65.17 -29.11 69.92 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.463 0.173 . . . . 0.0 110.845 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -92.61 -26.63 17.77 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.762 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 m -91.8 -6.27 52.04 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.55 -172.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.98 13.21 47.03 Favored Glycine 0 CA--C 1.55 2.22 0 C-N-CA 121.338 -0.458 . . . . 0.0 112.406 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.33 96.15 2.79 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -119.68 80.54 23.96 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -82.4 -20.8 5.69 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.76 2.307 . . . . 0.0 112.874 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.9 m-85 -79.14 76.92 5.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.006 0.431 . . . . 0.0 110.615 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 m -82.35 142.41 32.05 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.618 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.4 t -70.45 151.42 45.16 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.079 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -105.62 -1.99 23.99 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.319 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.57 151.43 97.17 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-O 120.657 0.265 . . . . 0.0 110.415 177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 129.38 22.11 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.512 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 p 63.73 14.36 8.16 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.129 0.572 . . . . 0.0 112.033 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.5 t -97.86 -83.41 0.4 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 120.684 0.278 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 56.59 30.98 18.28 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 122.938 0.495 . . . . 0.0 111.39 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 137.87 58.29 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 169.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -111.15 140.27 45.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 111.2 -170.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.33 159.53 36.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.805 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.58 -1.04 41.93 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.193 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -135.06 141.77 46.18 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 110.827 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 7.8 p -57.2 -48.07 79.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.72 -33.57 76.28 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.72 -43.24 98.11 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.5 tp -66.66 -39.56 88.24 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.991 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.26 -45.53 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.38 -46.57 89.62 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.665 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.45 -49.34 70.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.781 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -58.11 -37.26 74.2 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.893 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -16.89 63.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.483 0.182 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.4 mtp -107.62 3.66 25.04 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.018 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.345 0.388 0 CA-C-O 120.728 0.299 . . . . 0.0 111.094 -172.729 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.01 0 C3'-C2'-C1' 98.315 -3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.387 -3.282 0 O4'-C4'-C3' 109.572 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.302 0 O4'-C4'-C3' 108.221 2.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.552 2.362 1 O4'-C4'-C3' 109.865 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 0 P-O3'-C3' 124.418 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.448 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.551 4.974 1 O4'-C4'-C3' 109.753 4.153 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.362 0 P-O3'-C3' 124.227 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.128 2 C5'-C4'-C3' 107.406 -4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.551 0 O4'-C4'-C3' 109.446 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.208 3 C4'-C3'-C2' 97.058 -6.142 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.424 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.549 4.722 1 O3'-P-O5' 93.635 -5.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.424 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.552 5.129 0 O4'-C4'-C3' 109.331 3.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.597 5.445 2 C4'-C3'-C2' 109.403 6.203 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.538 2 P-O3'-C3' 128.344 7.204 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.138 0 O4'-C4'-C3' 108.92 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C4'-C3' 109.322 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.087 2 P-O3'-C3' 125.71 5.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 P-O3'-C3' 123.797 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.767 0 O4'-C1'-C2' 103.133 -2.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.728 1 P-O3'-C3' 124.895 4.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.403 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.387 -3.33 1 O4'-C4'-C3' 110.85 5.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.392 -2.181 3 C4'-C3'-C2' 97.513 -5.687 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.138 0 P-O5'-C5' 125.033 2.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 3.011 0 O4'-C1'-C2' 102.212 -3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.366 0 O3'-P-O5' 98.691 -2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.713 0 O4'-C4'-C3' 109.531 3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.539 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.405 -3.753 2 C5'-C4'-C3' 107.865 -4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.539 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.408 -3.488 1 C3'-C2'-C1' 96.916 -4.131 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 120.584 0.231 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -69.06 -25.63 64.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.167 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.33 62.51 2.36 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.991 0.425 . . . . 0.0 110.786 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -76.66 56.31 1.13 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.28 83.37 11.02 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.33 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.24 129.98 11.68 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.71 167.12 11.97 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.413 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -136.25 158.66 43.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.173 169.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.0 t -81.61 131.47 35.27 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.733 172.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.12 -7.36 58.87 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.781 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 60.0 t80 -70.79 127.23 92.03 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 120.463 0.173 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.03 -14.59 35.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.727 2.285 . . . . 0.0 113.334 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.91 -2.59 71.57 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.156 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -120.16 -67.35 0.99 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.501 0.32 . . . . 0.0 110.776 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.13 36.76 1.59 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.004 0.522 . . . . 0.0 111.693 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.5 -172.35 3.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.784 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 mmt-85 -119.19 154.75 32.84 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 111.457 -174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -141.68 170.06 16.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.965 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.13 -9.71 6.49 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 42.9 mmtm -132.76 114.84 14.61 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -46.66 -42.23 16.07 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 120.674 0.273 . . . . 0.0 110.85 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -68.3 -46.12 71.18 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.12 -29.3 68.19 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -34.3 65.9 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 169.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.5 88.0 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 171.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -49.84 75.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.19 -39.02 77.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 120.669 0.271 . . . . 0.0 111.144 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -59.1 -34.87 72.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.323 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -55.56 -38.12 68.91 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.18 -45.46 79.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.496 0.188 . . . . 0.0 110.579 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -71.52 -21.49 61.91 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -172.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.97 -29.71 63.47 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.535 0.207 . . . . 0.0 110.885 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.84 -0.59 60.32 Favored Glycine 0 CA--C 1.543 1.821 0 C-N-CA 121.58 -0.343 . . . . 0.0 112.531 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.04 -45.79 8.13 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.788 0.294 . . . . 0.0 110.687 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.36 86.6 8.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.253 172.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.77 167.42 25.81 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 112.493 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.56 172.19 10.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.279 170.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -132.42 151.79 51.74 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.06 129.79 24.62 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.075 0.464 . . . . 0.0 111.375 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.3 -8.79 57.36 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.21 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.23 -17.46 64.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.317 0.247 . . . . 0.0 111.224 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER 71.7 -48.5 0.68 Allowed 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 123.666 0.787 . . . . 0.0 111.901 175.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -73.17 -14.09 61.29 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.658 0.266 . . . . 0.0 110.733 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.4 t -88.32 161.33 17.2 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.336 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.32 22.96 4.42 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.98 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -94.72 145.87 24.56 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -121.66 147.18 46.2 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.3 m-85 -132.12 139.33 48.42 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.613 -176.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p -72.25 -31.45 65.8 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.409 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -122.42 156.34 34.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.324 0.583 . . . . 0.0 111.404 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.21 77.63 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.045 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -69.37 -34.79 75.07 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.418 0.152 . . . . 0.0 111.3 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.41 -43.35 86.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.34 -44.47 94.77 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.72 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.89 -41.15 97.54 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.848 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -58.7 -47.37 84.79 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.2 t60 -60.77 -39.62 89.48 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.187 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -53.41 -38.11 63.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.967 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.14 -33.39 62.86 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 122.476 -0.14 . . . . 0.0 110.987 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.36 -37.03 85.69 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.251 0.22 . . . . 0.0 111.299 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -87.0 -35.09 18.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.661 0.267 . . . . 0.0 111.061 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.2 p -82.12 -26.41 33.58 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.1 11.91 84.62 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 121.568 -0.349 . . . . 0.0 112.369 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.1 t -76.17 114.63 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.08 86.48 46.88 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.96 7.41 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.688 2.259 . . . . 0.0 113.029 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -86.35 92.67 8.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -101.71 134.97 44.02 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.773 0.32 . . . . 0.0 110.722 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.78 132.46 49.63 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -23.88 67.49 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.026 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -74.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.137 -172.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -88.88 -5.05 58.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.236 0.214 . . . . 0.0 111.418 -173.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 64.84 20.58 12.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.765 0.426 . . . . 0.0 111.483 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -65.65 139.1 58.38 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -112.4 135.29 53.27 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.894 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -131.57 159.7 37.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.513 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -106.73 9.24 31.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.942 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -140.35 126.66 19.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.1 p -66.53 -33.56 75.96 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.64 -38.38 90.04 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.754 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.8 m-70 -68.4 -44.94 73.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.938 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.06 -47.27 77.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.512 0.196 . . . . 0.0 110.913 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -62.86 -35.32 79.6 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.573 0.225 . . . . 0.0 110.782 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.2 m -66.76 -49.59 65.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.824 0.345 . . . . 0.0 110.633 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.48 -32.87 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.971 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -54.25 -40.92 68.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -62.23 -23.11 66.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.7 p -62.54 -26.5 68.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.565 0.221 . . . . 0.0 110.814 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -93.06 -29.29 15.87 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -91.79 -6.32 51.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.04 14.42 61.24 Favored Glycine 0 CA--C 1.548 2.151 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.71 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -73.09 100.68 3.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 80.56 10.23 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.308 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.32 -15.04 9.11 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.651 2.234 . . . . 0.0 113.163 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -85.32 76.16 10.16 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.747 ' HG ' ' NH2' ' A' ' 98' ' ' ARG . 59.7 p -83.8 142.69 30.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.962 0.41 . . . . 0.0 110.863 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.23 147.96 49.15 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -176.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.747 ' NH2' ' HG ' ' A' ' 96' ' ' SER . 4.7 mmp_? -103.46 -4.38 24.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -63.42 149.79 91.09 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-O 120.606 0.241 . . . . 0.0 110.483 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.83 20.41 0.53 Allowed 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 122.756 2.304 . . . . 0.0 113.451 -170.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.7 p -172.84 64.55 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.641 0.258 . . . . 0.0 110.738 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 36.4 t -161.98 -82.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.681 0.276 . . . . 0.0 111.15 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.31 25.16 14.62 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.983 0.513 . . . . 0.0 111.713 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.435 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 0.8 OUTLIER -64.37 146.36 54.58 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 169.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -121.2 131.43 54.23 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.354 -169.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -120.26 164.04 16.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.825 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.64 -3.12 31.01 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -134.64 146.02 49.15 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.148 0.499 . . . . 0.0 110.714 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 p -57.75 -50.26 73.82 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.506 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -62.14 -33.56 74.72 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.57 -43.35 97.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.77 -40.61 84.02 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.204 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 17.1 m -61.59 -41.52 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.635 0.255 . . . . 0.0 110.646 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -66.14 -46.61 76.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.635 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.93 -45.9 74.88 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.953 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.14 -33.59 67.55 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.669 -0.242 . . . . 0.0 110.946 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -18.0 65.14 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.065 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.5 mtt -79.42 -18.27 52.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.476 0.179 . . . . 0.0 110.976 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.346 0.455 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 177.192 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.286 0 C3'-C2'-C1' 98.761 -2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 0 O4'-C4'-C3' 108.562 2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.954 0 C3'-C2'-C1' 98.199 -3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.484 1 C5'-C4'-C3' 108.083 -4.411 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.403 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.553 5.26 0 P-O3'-C3' 124.189 3.741 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.479 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O3'-P-O5' 98.606 -2.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.485 2 O4'-C4'-C3' 110.757 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.55 2.237 0 O4'-C4'-C3' 108.976 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.55 4.878 0 O4'-C4'-C3' 108.613 3.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.73 2 O4'-C4'-C3' 112.691 7.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.851 5 O4'-C4'-C3' 113.714 8.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.534 -5.851 3 O4'-C4'-C3' 113.099 7.499 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.082 1 P-O3'-C3' 124.968 4.39 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.652 5.859 2 O3'-P-O5' 92.587 -6.007 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.636 0 C2'-C3'-O3' 118.107 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 1 P-O3'-C3' 124.803 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.079 5 O4'-C4'-C3' 112.838 7.238 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 P-O3'-C3' 124.978 4.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.655 4.019 0 O5'-C5'-C4' 114.863 3.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . 0.407 " H1'" H5'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.598 2 O4'-C4'-C3' 111.175 5.575 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.407 H5'' " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.403 -3.917 3 O4'-C4'-C3' 111.029 5.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.718 1 O4'-C4'-C3' 110.225 4.625 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.218 0 C5'-C4'-C3' 109.515 -3.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.295 1 O4'-C1'-C2' 100.892 -4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.538 1 O3'-P-O5' 93.989 -5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 C5'-C4'-C3' 108.544 -4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.522 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.509 0 O4'-C4'-C3' 108.641 3.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.522 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.633 3.957 0 O4'-C4'-C3' 109.234 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -56.29 -29.02 60.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.367 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -52.53 -34.59 50.65 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.157 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.94 8.2 17.13 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.46 67.08 12.68 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.59 178.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -81.14 156.17 19.79 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 84.8 m-85 -128.34 159.15 36.21 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.78 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mtp -136.38 150.02 48.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 168.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.82 129.44 39.95 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.993 0.425 . . . . 0.0 110.942 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.84 -9.27 58.48 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.785 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -70.01 128.23 91.82 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 120.535 0.207 . . . . 0.0 110.463 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.73 -16.29 41.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.664 2.243 . . . . 0.0 113.224 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.99 -9.21 66.07 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.196 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 41.6 t -110.33 -75.89 0.62 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 122.325 0.25 . . . . 0.0 111.0 -174.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.91 29.95 1.82 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.065 0.546 . . . . 0.0 111.873 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 mppt? -84.37 167.38 16.57 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 171.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 151.52 20.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.092 0.473 . . . . 0.0 111.606 -171.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -134.26 162.0 33.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.734 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -115.99 -14.09 11.24 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.318 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -132.03 113.9 13.93 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 122.402 0.281 . . . . 0.0 110.574 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 55.5 tp -45.3 -42.37 9.69 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 120.716 0.293 . . . . 0.0 111.111 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.12 -45.93 72.29 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.678 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -29.24 68.96 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -35.1 66.32 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 169.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -39.97 80.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.9 mmt -63.34 -49.8 72.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -58.03 -34.49 70.12 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.733 0.301 . . . . 0.0 111.06 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.7 m -58.79 -34.48 71.51 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -54.42 -38.06 65.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.635 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.27 -47.43 78.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.462 0.172 . . . . 0.0 110.701 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -70.44 -21.43 62.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -171.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -56.25 -27.4 54.9 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.453 0.168 . . . . 0.0 110.986 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.5 -6.38 59.77 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 121.598 -0.334 . . . . 0.0 112.613 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -93.35 -36.04 12.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.807 0.304 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -143.85 85.19 9.28 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.417 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.14 164.55 35.31 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.521 2.148 . . . . 0.0 112.233 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -73.9 162.77 28.73 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.7 143.28 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.77 151.26 47.81 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.06 -1.84 28.5 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -71.84 114.36 9.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -19.61 65.83 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -169.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.92 9.15 23.12 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.75 -74.66 0.48 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.494 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 52.33 30.72 8.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 122.785 0.434 . . . . 0.0 111.411 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -81.44 156.18 25.49 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' H ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -112.84 141.46 46.63 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -176.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -134.13 139.26 45.78 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.691 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -68.97 -39.74 79.26 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.44 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.08 151.7 32.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.051 0.453 . . . . 0.0 111.226 -175.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.51 -39.37 76.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.771 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.37 -40.76 89.94 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -61.33 -46.47 90.11 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.4 -48.26 80.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.797 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.64 -44.9 90.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.284 0.234 . . . . 0.0 111.308 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -59.81 -46.9 87.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.445 ' CD2' HE21 ' A' ' 58' ' ' GLN . 0.8 OUTLIER -60.59 -36.97 79.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 -177.515 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.445 HE21 ' CD2' ' A' ' 57' ' ' HIS . 29.4 mm-40 -53.12 -38.02 62.27 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.755 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.11 -33.27 62.68 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.935 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -57.39 -31.82 66.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.575 0.35 . . . . 0.0 111.652 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -132.24 55.46 1.88 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.338 0.59 . . . . 0.0 110.508 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -153.75 -49.53 0.09 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.369 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.93 -7.33 1.58 Allowed Glycine 0 N--CA 1.48 1.606 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.547 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 t 68.77 -68.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.48 0.712 . . . . 0.0 111.206 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -151.59 96.23 3.2 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-O 120.605 0.241 . . . . 0.0 111.268 -170.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -88.92 -22.48 1.08 Allowed 'Trans proline' 0 CA--C 1.561 1.838 0 C-N-CA 122.726 2.284 . . . . 0.0 113.433 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -78.22 86.7 4.33 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 120.734 0.302 . . . . 0.0 110.826 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.13 127.47 36.57 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.74 143.59 57.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.476 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -92.43 -12.91 30.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 175.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.71 -64.67 1.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.823 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.62 2.13 47.02 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 63.47 18.74 11.27 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.463 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.33 173.51 6.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.561 0.22 . . . . 0.0 110.628 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -137.33 142.94 41.83 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.541 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.97 162.08 33.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.8 m -97.8 -10.89 24.0 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.62 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -143.88 148.2 35.11 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -68.02 -31.32 70.92 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.045 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.38 -37.95 89.27 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 120.583 0.23 . . . . 0.0 110.812 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.426 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 64.0 m170 -71.51 -36.22 71.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.717 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.1 tt -66.87 -47.63 71.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.275 0.083 . . . . 0.0 110.836 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -61.53 -39.47 91.14 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.81 0.338 . . . . 0.0 110.539 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.1 m -61.19 -49.57 76.65 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.289 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -62.34 -33.01 73.87 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.221 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.2 m -54.23 -38.99 66.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.745 0.418 . . . . 0.0 110.865 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -61.68 -22.46 65.34 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.71 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 m -54.4 -47.18 73.03 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.051 172.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.21 -27.55 60.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.681 0.277 . . . . 0.0 110.67 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -91.62 -6.26 52.55 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.91 24.1 59.97 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.189 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.12 123.3 34.48 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.039 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.6 87.9 40.27 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.288 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -83.52 -18.45 5.78 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 122.511 2.141 . . . . 0.0 113.059 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -84.26 78.42 9.79 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.013 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 t -78.65 142.23 37.35 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.668 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.9 t -70.4 161.33 30.7 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -86.12 0.53 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.622 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 5.8 m95 54.24 -179.87 0.03 OUTLIER Pre-proline 0 CA--C 1.576 1.965 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 171.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -48.01 -43.75 29.52 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.314 2.01 . . . . 0.0 112.662 -174.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 m -170.75 64.28 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.4 t -87.8 177.68 6.93 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.308 0.575 . . . . 0.0 111.121 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.4 tp-100 -160.7 13.97 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.908 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.419 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.2 mppt? -79.4 137.55 37.32 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -128.52 132.46 48.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.09 165.37 12.97 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.908 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.06 -3.73 34.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -133.99 141.62 47.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.0 0.429 . . . . 0.0 110.629 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.1 p -57.15 -48.31 79.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.382 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.05 -33.78 76.17 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.78 -42.63 97.93 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.7 tp -67.37 -39.03 85.63 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.003 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.17 -45.71 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.44 -46.54 89.64 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.593 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.5 -49.54 69.93 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.65 -39.75 74.27 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.77 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -15.71 63.62 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.221 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.1 mtt -114.25 7.23 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.457 0.303 . . . . 0.0 110.973 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.739 0.305 . . . . 0.0 110.97 -173.361 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.055 0 C3'-C2'-C1' 98.27 -3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 0 O4'-C1'-C2' 108.66 2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 2 C3'-C2'-C1' 96.173 -4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.708 2 O4'-C4'-C3' 110.246 4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.568 0 P-O3'-C3' 123.538 3.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.426 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O3' 1.637 2.508 0 P-O3'-C3' 123.838 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.047 3 O4'-C4'-C3' 112.743 7.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 2.964 0 C4'-C3'-C2' 100.075 -3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.145 0 O3'-P-O5' 96.494 -3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.639 4.586 0 O3'-P-O5' 96.679 -3.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.467 5 C5'-C4'-C3' 104.161 -7.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.699 0 O4'-C1'-C2' 102.136 -3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.422 0 C5'-C4'-C3' 109.03 -3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 P-O3'-C3' 123.981 3.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.246 1 O5'-C5'-C4' 118.025 5.589 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.078 1 P-O3'-C3' 125.828 5.106 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.828 2 O5'-C5'-C4' 118.008 5.577 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.514 0 P-O3'-C3' 123.843 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.642 4.918 1 P-O3'-C3' 124.934 4.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.965 1 P-O3'-C3' 124.857 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.73 1 C4'-C3'-C2' 98.906 -4.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.667 0 O4'-C4'-C3' 108.38 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C4'-C3' 108.201 2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.152 0 O4'-C4'-C3' 109.241 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.878 0 O3'-P-O5' 97.091 -3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.241 0 C5'-C4'-C3' 109.777 -3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.548 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 O4'-C4'-C3' 108.279 2.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.548 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C4'-C3' 108.863 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.928 0 CA-C-O 120.571 0.224 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -170.73 173.3 5.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.559 0.343 . . . . 0.0 110.449 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -75.43 -2.72 29.97 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.411 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -72.92 81.32 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.842 0.354 . . . . 0.0 110.295 173.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtm-85 -136.1 66.94 61.83 Favored Pre-proline 0 CA--C 1.553 1.058 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.33 -35.34 5.06 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.562 2.174 . . . . 0.0 112.539 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -118.72 162.99 17.51 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.95 0.405 . . . . 0.0 110.738 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.416 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 64.1 mtt -136.23 158.76 43.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.573 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 40.4 t -103.04 124.72 49.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.378 171.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 -8.8 57.95 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.926 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.483 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 77.1 t80 -71.82 132.31 85.11 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 120.599 0.238 . . . . 0.0 110.824 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 89.1 Cg_endo -74.82 56.69 4.22 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 122.968 2.445 . . . . 0.0 112.385 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.52 57.68 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 43.8 t -152.13 175.67 12.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.675 0.39 . . . . 0.0 110.11 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.91 -20.34 65.89 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.428 169.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 9' ' ' CYS . 2.9 ttmt 71.51 15.7 6.08 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 123.138 0.575 . . . . 0.0 111.337 169.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 7.1 tmm_? -143.23 141.9 31.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.033 0.444 . . . . 0.0 111.408 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.474 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 36.8 m-85 -144.83 170.05 16.86 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -115.69 -37.62 3.91 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.285 -175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 14.7 tppt? -108.9 122.28 46.87 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.625 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -45.29 36.65 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.044 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -68.08 -45.93 72.43 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.08 -29.36 69.69 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -38.9 65.42 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.205 169.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -38.76 77.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.99 -48.11 66.68 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 38.8 t60 -58.0 -35.25 70.97 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.635 0.255 . . . . 0.0 111.091 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -59.04 -35.04 72.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.303 -176.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -38.37 69.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.26 -47.34 78.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.534 0.207 . . . . 0.0 110.537 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.483 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 45.5 m-70 -75.67 -21.59 57.5 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -60.05 -27.02 66.6 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.13 -8.57 57.72 Favored Glycine 0 CA--C 1.541 1.705 0 CA-C-N 116.394 -0.366 . . . . 0.0 112.576 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.58 -30.81 20.23 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.783 0.291 . . . . 0.0 110.641 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.1 69.02 7.2 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.199 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.3 154.47 65.58 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.485 2.123 . . . . 0.0 112.266 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -90.17 166.25 13.49 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.383 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -132.54 151.2 52.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.73 151.88 37.21 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.345 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.93 -8.42 49.38 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.145 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.62 115.9 23.59 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.896 0.379 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.6 -18.45 65.33 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.008 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -91.34 0.27 57.54 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.126 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.9 t -117.4 -68.15 0.94 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 49.98 37.84 14.96 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.331 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.88 162.71 23.83 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 145.23 50.2 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.001 0.429 . . . . 0.0 111.316 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.5 m-85 -129.34 139.39 51.74 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.603 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 p -90.06 20.09 4.52 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.499 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.405 HH11 ' N6 ' ' C' ' 141' ' ' ' DA' . 7.1 mtm180 -157.25 148.4 21.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.983 0.421 . . . . 0.0 110.954 172.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.4 p -62.85 -42.76 99.87 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.982 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.88 -33.85 76.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.003 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.48 -44.38 87.3 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.419 0.152 . . . . 0.0 110.688 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.61 -45.64 89.42 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.716 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -60.79 -42.48 97.65 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.4 -47.4 85.95 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.83 0.347 . . . . 0.0 110.295 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 41.9 t60 -60.75 -36.82 79.88 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.168 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -53.09 -36.73 61.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.525 0.33 . . . . 0.0 110.911 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 11.5 mmp_? -55.13 -32.89 62.41 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.023 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -55.75 -41.67 74.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.331 0.252 . . . . 0.0 111.443 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -93.63 -31.06 14.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.352 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -77.93 -26.09 48.71 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.817 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.3 -9.19 76.22 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.964 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.406 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 13.1 p -73.46 121.45 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -122.79 87.65 50.17 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.989 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.91 -20.1 11.97 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.752 2.301 . . . . 0.0 113.526 -169.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -82.76 86.09 6.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -94.36 133.99 37.34 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.94 128.71 36.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.409 171.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -71.35 -16.27 62.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.883 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -71.99 0.57 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.019 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -93.77 -4.06 50.98 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.185 0.194 . . . . 0.0 111.522 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 66.71 19.56 10.75 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.758 0.423 . . . . 0.0 111.482 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -67.64 139.67 56.83 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -111.4 132.16 54.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.42 160.1 28.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.51 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -110.35 9.18 23.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -144.44 121.4 11.35 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.668 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -60.27 -29.4 68.78 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.223 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.64 -39.79 95.25 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.422 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 64.0 m170 -75.28 -38.07 60.57 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.67 -47.38 75.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 121.366 -0.134 . . . . 0.0 110.64 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.28 -42.04 99.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.58 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 m -59.82 -49.48 77.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.779 0.323 . . . . 0.0 110.59 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.78 -38.73 92.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.6 m -54.96 -41.5 71.22 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -69.18 -23.0 63.87 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.959 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 p -68.97 -34.93 76.13 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.383 0.135 . . . . 0.0 110.739 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.29 -19.19 43.5 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 120.647 0.261 . . . . 0.0 110.546 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 m -91.69 -6.11 52.6 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.855 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.29 14.61 66.72 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 121.404 -0.427 . . . . 0.0 112.4 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.93 105.24 12.0 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.52 82.01 63.75 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.452 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -86.0 -14.73 4.99 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 122.8 2.333 . . . . 0.0 113.191 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -83.9 77.43 9.9 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.9 t -79.09 145.6 33.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.28 156.15 39.67 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.42 4.79 8.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.878 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.415 ' C ' ' H ' ' A' ' 101' ' ' SER . 9.0 m95 -61.74 150.23 82.63 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 120.727 0.299 . . . . 0.0 110.713 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.95 23.25 0.3 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 122.997 2.465 . . . . 0.0 113.058 -174.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 99' ' ' TRP . 59.1 m -161.53 23.13 0.12 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.29 0.236 . . . . 0.0 110.882 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 33.9 t -144.46 168.69 19.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.219 0.533 . . . . 0.0 111.223 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 1.1 tp-100 -164.38 29.5 0.07 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.04 171.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -68.15 143.62 55.32 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -123.79 133.85 53.74 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 111.171 -171.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.72 164.47 17.34 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.909 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.99 -3.42 32.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -130.54 139.77 50.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.985 0.421 . . . . 0.0 110.676 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.9 p -57.14 -48.16 79.38 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.303 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -64.52 -33.52 76.1 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.777 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.59 -43.06 97.79 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 173.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.87 -40.35 87.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.078 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.23 -47.39 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -60.9 -46.74 89.42 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.671 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -57.6 -47.39 82.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.985 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -56.69 -33.6 66.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.791 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -16.25 63.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.441 0.162 . . . . 0.0 111.212 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.8 mtt -81.03 -17.94 48.48 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.527 0.203 . . . . 0.0 110.97 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.346 0.452 0 CA-C-O 120.75 0.31 . . . . 0.0 110.469 177.146 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.726 0 C5'-C4'-C3' 109.356 -3.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.879 1 O4'-C4'-C3' 110.162 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 1 C3'-C2'-C1' 96.764 -4.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.119 0 O4'-C4'-C3' 108.82 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.775 0 C3'-C2'-C1' 99.119 -2.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.422 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O3'-P-O5' 98.338 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.45 1 O4'-C4'-C3' 110.474 4.874 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.56 6.063 0 O4'-C1'-C2' 102.916 -2.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.649 1 O3'-P-O5' 94.94 -4.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.094 1 P-O3'-C3' 124.873 4.311 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.468 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.562 6.382 2 O4'-C1'-C2' 100.124 -5.433 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.468 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.542 2.41 0 C5'-C4'-C3' 108.751 -3.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.395 -2.791 1 O4'-C4'-C3' 109.621 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.193 1 O3'-P-O5' 93.5 -5.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 O5'-C5'-C4' 115.638 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.413 1 O4'-C4'-C3' 111.004 5.404 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.446 0 P-O3'-C3' 124.044 3.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . 0.405 ' N6 ' HH11 ' A' ' 50' ' ' ARG . . . . . . . . 0 C3'--C2' 1.545 2.733 1 O3'-P-O5' 96.385 -4.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.673 5.463 0 C2'-C3'-O3' 118.452 2.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 2 O4'-C4'-C3' 110.591 4.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.854 1 O5'-C5'-C4' 116.098 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.552 5.159 0 P-O3'-C3' 124.013 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.029 1 O4'-C1'-C2' 101.239 -4.419 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.616 2 O4'-C4'-C3' 111.99 6.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O3'-P-O5' 98.578 -2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.354 0 C5'-C4'-C3' 109.307 -3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.501 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 1 P--O5' 1.637 4.438 2 C5'-C4'-C3' 107.495 -4.804 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.501 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C1'-C2' 109.591 3.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 CA-C-O 120.732 0.301 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -69.9 -13.87 62.46 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.226 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -77.12 35.64 0.17 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 122.606 0.362 . . . . 0.0 111.391 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp 50.84 44.06 28.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.58 0.352 . . . . 0.0 111.186 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -62.73 158.69 49.82 Favored Pre-proline 0 CA--C 1.552 1.019 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.659 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -71.49 89.18 0.72 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 122.522 2.148 . . . . 0.0 111.896 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -76.26 85.86 3.07 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.43 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -80.83 138.42 36.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.079 0.466 . . . . 0.0 110.78 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.37 140.31 56.23 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.666 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.02 -17.13 61.47 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.501 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 66.6 t80 -72.5 117.87 62.8 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-O 120.565 0.222 . . . . 0.0 110.984 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.89 110.72 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 122.637 2.225 . . . . 0.0 112.082 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.83 -38.84 2.08 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.2 -78.13 0.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m120 49.62 27.18 2.04 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.39 152.96 44.3 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.413 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 127.55 44.47 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.155 0.502 . . . . 0.0 111.094 -170.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.407 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 60.9 m-85 -109.34 170.32 8.13 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.441 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.98 -38.43 3.65 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.601 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 49.8 mtpt -97.39 115.55 27.94 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.653 0.263 . . . . 0.0 110.492 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -44.85 -47.19 11.08 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.797 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -67.93 -45.27 74.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.936 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.97 -30.92 71.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.586 0.231 . . . . 0.0 110.407 -178.595 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.1 -42.04 63.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.264 170.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -57.98 -38.79 76.72 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 tpt -64.31 -46.63 82.74 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 35.7 t60 -57.85 -36.81 72.82 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.574 0.225 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 p -59.07 -34.99 72.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.747 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.69 -38.23 69.38 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.4 -42.62 78.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.561 0.219 . . . . 0.0 110.469 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 74.8 m-70 -78.51 -21.39 48.96 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.354 -176.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -14.8 15.77 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.946 0.403 . . . . 0.0 109.945 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.93 40.23 1.68 Allowed Glycine 0 CA--C 1.544 1.866 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 169.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.92 60.6 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.782 0.433 . . . . 0.0 111.826 -172.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -146.65 160.54 41.02 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.499 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.11 90.55 0.55 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.096 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -63.13 112.15 2.52 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.238 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.0 148.6 24.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.016 0.436 . . . . 0.0 111.12 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.25 153.0 44.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.775 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.99 -8.56 25.21 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.05 110.47 3.95 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -59.93 -25.62 65.3 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.986 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.74 8.89 13.19 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 120.546 0.212 . . . . 0.0 111.176 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.5 t -136.81 -81.43 0.38 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.673 0.389 . . . . 0.0 110.669 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 54.24 34.65 20.86 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 122.874 0.47 . . . . 0.0 111.657 -176.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 159.01 35.0 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 171.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -113.52 141.08 47.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.98 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 99.1 m-85 -130.3 148.82 52.17 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.8 p -99.19 21.83 11.31 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -161.81 150.8 15.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.415 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 p -63.93 -42.44 97.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -34.08 75.63 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.032 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.36 -48.9 79.17 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.35 -49.86 75.9 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.91 -44.18 96.78 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.441 0.163 . . . . 0.0 111.056 -179.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -57.72 -47.09 83.4 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.746 0.308 . . . . 0.0 110.247 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -60.48 -49.47 77.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.349 -178.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -54.7 -38.27 66.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.71 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.31 63.37 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.705 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' HD3' H5'' ' B' ' 129' ' ' ' DG' . 0.4 OUTLIER -58.91 -31.59 68.77 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.489 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -115.39 -5.13 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.0 p -102.25 -27.81 12.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.198 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.01 105.68 0.52 Allowed Glycine 0 N--CA 1.472 1.082 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -46.52 -79.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -169.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' H ' HG22 ' A' ' 64' ' ' VAL . 46.9 mmtt -144.04 80.66 12.23 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-O 120.615 0.245 . . . . 0.0 111.149 -171.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.2 -22.11 5.14 Favored 'Trans proline' 0 CA--C 1.552 1.412 0 C-N-CA 122.604 2.203 . . . . 0.0 113.324 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.41 94.46 7.99 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.531 0.205 . . . . 0.0 110.482 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -95.12 137.45 34.16 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.706 0.288 . . . . 0.0 111.279 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.76 147.43 53.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.411 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -85.7 -14.28 45.86 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -73.1 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -172.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.21 -2.97 59.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.382 0.273 . . . . 0.0 111.25 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 61.72 24.53 14.62 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 122.721 0.409 . . . . 0.0 111.228 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -64.85 164.15 12.97 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.62 138.11 49.95 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.997 0.427 . . . . 0.0 111.0 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -135.1 167.14 21.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.353 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 p -102.55 -15.16 16.5 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.937 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -136.75 152.82 50.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.048 0.451 . . . . 0.0 111.128 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 p -72.96 -34.56 66.57 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.26 -35.02 79.47 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.565 0.222 . . . . 0.0 110.591 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.3 m-70 -68.59 -45.31 72.34 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.635 172.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.15 -47.65 79.07 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.402 0.144 . . . . 0.0 110.967 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.68 -37.03 80.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 m -65.84 -49.6 67.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.664 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.58 -34.59 75.87 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.936 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.8 m -54.39 -41.22 69.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.889 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -62.29 -22.8 66.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.234 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -54.58 -36.22 64.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.696 0.284 . . . . 0.0 110.814 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -86.9 -28.76 22.6 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.322 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.8 p -91.7 -6.4 52.08 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.75 9.37 55.88 Favored Glycine 0 CA--C 1.55 2.24 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.738 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.03 94.56 1.11 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -122.67 78.84 47.98 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.395 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -80.52 -18.63 9.37 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.783 2.322 . . . . 0.0 113.111 -174.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.21 81.09 8.96 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.758 0.313 . . . . 0.0 110.674 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 t -89.72 142.77 27.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.41 135.03 48.39 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.589 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 7.99 29.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.198 -175.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.403 ' C ' ' H ' ' A' ' 101' ' ' SER . 6.5 m95 -58.85 151.61 53.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 -176.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.43 23.7 0.32 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 123.038 2.492 . . . . 0.0 112.939 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 99' ' ' TRP . 62.7 m -160.27 18.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.313 0.245 . . . . 0.0 111.038 177.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.3 t -150.09 152.68 35.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 120.805 0.336 . . . . 0.0 110.802 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -146.08 36.23 1.02 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.847 171.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -71.17 166.38 21.61 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.281 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -128.79 144.81 51.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.13 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -133.73 155.75 49.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.52 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.15 3.92 44.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -134.27 134.77 42.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -57.11 -43.8 82.62 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.3 -33.47 75.35 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.581 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.66 -42.07 96.31 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.278 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.73 -42.62 90.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.881 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.1 -47.23 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.157 175.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -61.47 -46.77 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.766 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -55.76 -49.84 72.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.677 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -56.76 -38.17 72.07 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.914 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -18.68 63.62 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 120.524 0.202 . . . . 0.0 111.095 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -103.76 -1.6 27.69 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.036 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.344 0.334 0 CA-C-O 120.599 0.238 . . . . 0.0 111.091 -171.707 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.918 0 C3'-C2'-C1' 99.218 -2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.523 0 P-O3'-C3' 122.649 2.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.516 1 C3'-C2'-C1' 95.888 -4.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C4'-C3' 109.517 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.398 0 O4'-C1'-C2' 103.212 -2.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.441 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.538 3.386 0 P-O3'-C3' 122.122 2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.47 0 P-O3'-C3' 123.903 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 P-O3'-C3' 122.36 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C4'-C3' 108.829 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.148 0 C2'-C3'-O3' 117.283 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.306 1 C5'-C4'-C3' 106.876 -5.216 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C1'-C2' 102.616 -3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 P-O3'-C3' 123.877 3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.123 0 P-O3'-C3' 123.751 3.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.558 2.973 0 O5'-C5'-C4' 114.38 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 P-O3'-C3' 127.277 6.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 P-O3'-C3' 124.336 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.126 0 O4'-C4'-C3' 108.563 2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.818 1 O4'-C4'-C3' 109.717 4.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C4'-C3' 109.578 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.411 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 P--O3' 1.642 2.882 0 O4'-C4'-C3' 109.407 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . 0.411 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.564 1 O3'-P-O5' 95.714 -4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 P-O3'-C3' 123.698 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.026 1 O4'-C4'-C3' 110.6 5.0 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 123.994 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.633 2.194 0 C5'-C4'-C3' 110.416 -2.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.546 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.548 0 O4'-C4'-C3' 108.617 3.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.546 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.41 -3.3 0 C3'-C2'-C1' 98.532 -2.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 120.759 0.314 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -59.76 -26.56 65.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.421 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -73.53 -22.57 60.06 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -80.41 49.61 1.17 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.894 0.378 . . . . 0.0 110.73 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -146.82 90.84 5.37 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 19' ' ' PHE . 70.0 Cg_endo -76.26 -13.98 18.66 Favored 'Trans proline' 0 CA--C 1.549 1.261 0 C-N-CA 122.576 2.184 . . . . 0.0 113.148 -177.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -98.78 154.84 17.7 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.574 0.226 . . . . 0.0 110.79 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.6 158.61 44.03 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.818 0.342 . . . . 0.0 110.607 169.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 144.08 44.77 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.986 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.22 -2.79 58.08 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.02 127.99 77.78 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-O 120.64 0.257 . . . . 0.0 110.479 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.08 -12.47 32.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.679 2.252 . . . . 0.0 113.094 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.25 7.31 72.34 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.133 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -134.59 -72.18 0.48 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.367 0.267 . . . . 0.0 110.765 -175.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.25 32.17 0.93 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.001 0.52 . . . . 0.0 111.645 -176.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -79.77 175.4 10.65 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -113.77 151.31 32.17 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.14 0.495 . . . . 0.0 111.415 -173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -139.59 161.23 38.0 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.384 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 50.3 t80 -107.91 -45.5 3.97 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.313 -175.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 85.5 mttt -92.91 117.95 30.6 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 tp -45.14 -47.94 12.21 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.728 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -67.86 -45.85 73.41 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.669 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.95 -30.42 71.55 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.063 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -39.44 65.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.099 170.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.83 77.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.64 80.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.673 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.97 -39.87 79.21 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 120.643 0.259 . . . . 0.0 110.616 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -59.27 -35.08 73.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.26 69.2 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.48 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -45.53 80.39 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.602 0.239 . . . . 0.0 110.842 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -75.94 -21.29 57.19 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -51.03 -33.57 25.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.68 31.12 9.09 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 116.446 -0.343 . . . . 0.0 112.541 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -126.54 18.12 7.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.707 0.253 . . . . 0.0 110.943 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -94.31 106.7 24.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -73.62 81.52 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.439 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -77.39 159.71 29.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 173.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -132.67 150.08 52.21 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.74 138.69 56.97 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.893 0.378 . . . . 0.0 110.769 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -98.66 8.71 44.61 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.019 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -70.73 159.46 34.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.118 0.485 . . . . 0.0 111.094 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -63.94 -37.21 86.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.404 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -128.58 62.61 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.9 t -147.61 171.7 15.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.592 175.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.65 15.46 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -76.57 145.61 38.88 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 149.24 40.03 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.129 0.49 . . . . 0.0 110.853 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.0 m-85 -130.96 164.66 24.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.2 p -103.68 -9.9 18.78 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.58 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -138.89 156.0 47.63 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-O 121.004 0.43 . . . . 0.0 110.941 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -40.52 85.65 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.65 176.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -69.31 -34.46 74.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.36 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -64.85 -46.58 81.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.692 0.282 . . . . 0.0 110.387 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -62.13 -46.5 88.74 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.794 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.61 -42.4 88.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.449 0.166 . . . . 0.0 110.893 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -61.08 -47.49 86.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.713 0.292 . . . . 0.0 110.341 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.4 t60 -60.64 -45.29 94.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.764 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -53.5 -38.27 63.55 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.06 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -33.28 66.45 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.202 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -63.44 -36.67 84.51 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.517 0.199 . . . . 0.0 111.069 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -84.21 -33.36 24.16 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.138 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.9 p -88.0 -23.87 23.69 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.48 7.25 63.93 Favored Glycine 0 CA--C 1.547 2.041 0 C-N-CA 121.587 -0.339 . . . . 0.0 113.207 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.6 t -52.5 -50.74 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 116.973 0.386 . . . . 0.0 111.225 -174.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 50.77 66.07 5.94 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.11 -19.68 22.54 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.744 2.296 . . . . 0.0 113.333 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -81.85 91.7 6.57 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.767 0.318 . . . . 0.0 110.393 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -91.96 135.97 33.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.721 0.296 . . . . 0.0 110.673 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.68 135.35 55.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.472 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -19.69 65.8 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.279 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -76.53 0.53 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.009 -171.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -86.7 -5.02 59.24 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.504 0.192 . . . . 0.0 111.374 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 66.94 19.49 10.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.776 0.431 . . . . 0.0 111.409 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.29 140.5 58.5 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 172.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -105.5 132.59 51.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.647 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -128.8 156.26 43.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.449 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -100.01 -0.81 38.5 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.441 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -138.8 135.75 34.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -64.22 -32.08 73.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.136 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -68.15 -34.95 77.28 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.09 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -69.8 -40.86 75.72 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.851 -0.159 . . . . 0.0 110.626 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.58 -44.71 81.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.479 0.18 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -62.0 -36.25 80.97 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.1 m -68.24 -49.52 60.12 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.631 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -64.64 -30.12 71.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -54.23 -40.81 68.03 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.787 0.435 . . . . 0.0 110.8 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -61.96 -23.14 66.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.039 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -58.07 -42.79 86.27 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.767 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -86.7 -24.34 25.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.73 -6.2 52.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.472 -171.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.42 56.69 Favored Glycine 0 CA--C 1.545 1.942 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.242 -177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.28 108.64 17.88 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.876 0.369 . . . . 0.0 111.042 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.54 85.48 60.22 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.359 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.0 -18.33 3.6 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 122.777 2.318 . . . . 0.0 112.965 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.51 79.92 9.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.898 0.38 . . . . 0.0 110.956 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.4 t -78.85 146.1 33.84 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.63 176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -70.38 161.14 31.02 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.31 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -124.04 1.58 8.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.859 -175.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -61.64 147.18 89.15 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.812 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.51 27.05 0.35 Allowed 'Trans proline' 0 CA--C 1.552 1.375 0 C-N-CA 123.103 2.535 . . . . 0.0 112.953 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.2 m -164.58 35.93 0.07 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.421 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 47.3 t -136.35 168.51 19.29 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.262 0.554 . . . . 0.0 111.315 -176.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.28 24.18 0.13 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.192 175.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -92.94 148.34 22.09 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.497 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -128.54 152.61 48.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.3 159.57 37.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.06 -5.26 50.83 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.278 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -135.62 144.47 46.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 p -58.25 -48.01 81.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.694 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.1 -33.75 76.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.315 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.75 -43.77 97.53 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.75 -39.83 91.49 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.053 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.8 t -58.29 -45.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.636 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -54.29 -50.03 68.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.538 0.209 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -56.7 -38.57 72.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.894 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -17.66 63.64 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.035 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.4 mtp -107.25 3.99 26.11 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.423 0.289 . . . . 0.0 110.931 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.63 0.252 . . . . 0.0 111.001 -172.455 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.147 0 O4'-C4'-C3' 109.328 3.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 P-O3'-C3' 122.495 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.384 -3.615 1 O4'-C1'-C2' 100.609 -4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.462 1 O4'-C4'-C3' 109.727 4.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.448 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.405 -3.741 0 C2'-C3'-O3' 119.493 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.457 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 4 C5'--C4' 1.569 7.227 0 C2'-C3'-O3' 118.141 2.793 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.657 4.199 0 O3'-P-O5' 97.775 -3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.596 2 O4'-C4'-C3' 110.218 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C4'-C3' 109.39 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.509 -1.898 0 O3'-P-O5' 98.192 -3.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.308 2 C5'-C4'-C3' 105.572 -6.085 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.421 0 O4'-C4'-C3' 109.274 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.293 0 O4'-C4'-C3' 108.516 2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 2 O4'-C4'-C3' 110.326 4.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 C3'-C2'-C1' 106.414 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.692 1 P-O3'-C3' 124.8 4.25 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.81 1 O5'-C5'-C4' 117.958 5.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.884 1 C5'-C4'-C3' 108.638 -4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.088 0 P-O3'-C3' 123.047 2.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.666 1 O4'-C4'-C3' 111.1 5.5 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 2.716 0 O3'-P-O5' 98.601 -2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.349 1 P-O3'-C3' 125.253 4.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O3'-P-O5' 100.28 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.42 3 O4'-C1'-C2' 99.017 -6.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.365 0 O3'-P-O5' 98.011 -3.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.548 4.613 2 O4'-C1'-C2' 99.678 -5.838 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.53 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 1 P--O5' 1.643 4.964 0 O4'-C4'-C3' 108.994 3.394 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.53 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.548 4.566 0 O3'-P-O5' 97.813 -3.256 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.703 0 CA-C-O 120.589 0.233 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -61.66 -15.7 42.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.315 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -73.68 -16.71 61.2 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.892 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -74.86 74.69 2.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.872 0.368 . . . . 0.0 110.229 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -59.93 -52.18 75.42 Favored Pre-proline 0 CA--C 1.561 1.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.533 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.73 127.27 9.41 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 122.135 1.89 . . . . 0.0 112.773 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.25 169.29 11.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.972 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.0 mtp -136.29 158.71 43.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 169.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.09 144.9 42.69 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.891 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.37 0.26 53.36 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 52.8 t80 -83.23 124.93 75.64 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 122.399 -0.188 . . . . 0.0 110.72 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.59 -25.63 50.96 Favored 'Trans proline' 0 C--N 1.364 1.348 0 C-N-CA 122.921 2.414 . . . . 0.0 113.451 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.34 1.12 85.99 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.582 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 t -127.93 -77.58 0.57 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.488 0.315 . . . . 0.0 110.608 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.15 26.94 14.33 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -85.62 -176.82 6.22 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.77 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 148.34 34.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.092 0.472 . . . . 0.0 111.31 -171.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -133.83 170.08 16.11 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.991 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -124.0 -4.62 8.0 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.595 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -141.72 127.42 19.14 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.589 0.233 . . . . 0.0 110.658 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.65 -50.1 55.34 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.965 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.07 -45.88 72.61 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.649 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -31.64 72.95 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 120.672 0.272 . . . . 0.0 110.41 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -38.75 66.08 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.171 170.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.0 -38.51 79.37 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.702 0.287 . . . . 0.0 110.359 174.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.6 tpt -65.03 -46.49 81.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.652 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.1 -35.64 71.72 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m -59.2 -34.51 72.24 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.71 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.594 HH22 ' N4 ' ' C' ' 138' ' ' ' DC' . 14.1 mmp_? -55.25 -38.18 68.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.925 -0.125 . . . . 0.0 110.737 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -42.01 77.41 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.701 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 66.2 m-70 -88.58 -21.21 24.16 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.796 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -13.29 1.4 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.738 0.415 . . . . 0.0 111.696 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.53 38.0 1.95 Allowed Glycine 0 CA--C 1.542 1.777 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -127.04 11.18 7.03 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.05 120.03 72.21 Favored Pre-proline 0 CA--C 1.55 0.952 0 O-C-N 122.227 -0.296 . . . . 0.0 110.59 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.34 104.94 1.77 Allowed 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.638 2.225 . . . . 0.0 112.57 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.93 165.4 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.76 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -132.42 150.72 52.1 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.68 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.55 136.09 32.97 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 120.917 0.389 . . . . 0.0 111.129 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -75.63 -11.17 59.96 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.267 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -70.41 123.06 20.83 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.86 0.362 . . . . 0.0 110.477 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 8.3 0.66 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -171.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -132.98 10.38 4.22 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.131 0.172 . . . . 0.0 111.328 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.0 t -109.36 156.64 19.76 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 29.91 3.89 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.722 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.16 146.85 23.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.46 149.9 50.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.804 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 77.2 m-85 -132.64 164.62 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.654 -174.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 p -105.38 -5.81 20.1 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -144.15 150.11 37.55 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -40.61 74.85 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.37 -37.68 83.56 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.292 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.47 -47.85 83.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.672 0.272 . . . . 0.0 110.337 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.89 -47.05 86.71 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -59.08 -40.2 84.5 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.136 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -65.88 -43.85 87.07 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 81.2 t60 -60.77 -39.04 87.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.02 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -53.33 -38.22 63.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.184 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 7.9 mmp_? -55.35 -33.24 63.22 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.443 0.163 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.91 -36.81 84.6 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.344 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.71 -34.99 19.52 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.638 0.256 . . . . 0.0 111.044 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 p -83.24 -21.78 33.28 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.204 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.01 -2.14 44.24 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 121.784 -0.246 . . . . 0.0 112.977 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.451 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 8.3 p -69.98 147.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 111.123 -174.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -130.95 82.08 65.11 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.186 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -66.19 -23.88 52.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.801 2.334 . . . . 0.0 113.562 -169.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -95.68 127.51 41.77 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -124.1 137.84 54.51 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.3 t -69.33 144.85 53.39 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.713 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -9.84 55.55 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 175.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -66.09 0.94 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.946 -172.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.81 -8.33 49.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.549 0.214 . . . . 0.0 111.106 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.79 20.06 10.65 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -80.79 155.97 26.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 120.596 0.236 . . . . 0.0 110.534 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -114.39 146.85 40.07 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.097 0.475 . . . . 0.0 111.318 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -136.22 158.62 43.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.99 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -98.13 4.77 49.05 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.619 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.25 140.58 39.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.723 0.296 . . . . 0.0 110.999 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -64.93 -34.77 79.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.901 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.49 -35.42 73.25 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.477 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 62.4 m170 -76.81 -36.03 57.19 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.641 175.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.08 -47.14 75.24 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.406 0.145 . . . . 0.0 110.672 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.61 -36.43 83.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.708 0.29 . . . . 0.0 110.648 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -63.76 -49.39 73.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.629 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -63.67 -30.99 72.03 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.9 m -60.64 -41.49 95.04 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.202 -0.311 . . . . 0.0 110.374 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -65.29 -23.15 66.95 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.951 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.2 m -70.65 -31.84 68.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.858 -0.156 . . . . 0.0 110.756 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.97 -23.1 27.03 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.62 0.247 . . . . 0.0 110.847 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.0 m -91.81 -6.11 52.26 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.109 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.63 16.27 50.24 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.271 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.82 98.18 5.49 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.903 0.382 . . . . 0.0 110.589 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -118.56 82.61 19.9 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -83.36 -16.6 6.94 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.761 2.307 . . . . 0.0 113.006 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 109' ' ' SER . 92.5 m-85 -84.08 76.79 10.04 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.828 0.347 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.591 ' HG ' ' NH2' ' A' ' 98' ' ' ARG . 36.9 p -82.17 144.74 30.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.6 t -70.44 161.12 31.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' HG ' ' A' ' 96' ' ' SER . 3.0 mmp_? -113.2 -4.45 13.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.095 -176.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -67.21 134.64 93.48 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.51 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.66 37.86 0.59 Allowed 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 123.026 2.484 . . . . 0.0 113.003 -171.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.6 m -165.62 35.38 0.06 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.261 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 t -147.93 -87.13 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.186 -170.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.91 27.46 16.83 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.538 -173.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.06 158.93 35.05 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -128.43 148.82 50.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.011 0.434 . . . . 0.0 111.535 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -132.9 160.1 38.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.576 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.51 2.06 47.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -135.68 136.22 40.72 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.97 0.415 . . . . 0.0 110.655 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.403 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.3 t -57.04 -45.21 83.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.553 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.01 -33.49 75.67 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.52 -42.47 96.51 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.66 -40.23 88.56 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.013 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.22 -44.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 120.67 0.272 . . . . 0.0 110.272 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.79 -46.65 87.02 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.656 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.31 -48.87 70.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.786 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -56.78 -39.78 74.69 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.012 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -71.79 -15.63 62.16 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 120.497 0.189 . . . . 0.0 111.175 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.9 mtt -107.98 8.42 28.38 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.441 0.296 . . . . 0.0 110.873 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.345 0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.014 -173.754 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.695 0 C5'-C4'-C3' 111.038 -2.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.362 1 C4'-C3'-C2' 107.668 4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.874 1 P-O3'-C3' 125.918 5.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.586 0 P-O3'-C3' 123.31 3.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.755 0 C3'-C2'-C1' 98.038 -3.33 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.42 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 P--O5' 1.645 5.204 3 C4'-C3'-C2' 97.671 -5.529 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.388 -5.305 3 C4'-C3'-C2' 96.107 -7.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.543 2 C5'-C4'-O4' 116.563 4.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.642 2.955 3 O4'-C1'-C2' 99.226 -6.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . 0.432 ' C8 ' ' H71' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O3'-P-O5' 98.473 -2.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.456 ' C2 ' ' C4 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.605 11.745 2 C5'-C4'-C3' 108.305 -4.263 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.456 ' C4 ' ' C2 ' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.554 5.416 0 O5'-C5'-C4' 115.112 3.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O3'-P-O5' 90.946 -6.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.139 2 P-O3'-C3' 126.694 5.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . 0.594 ' N4 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.562 0 O4'-C4'-C3' 109.358 3.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.56 0 P-O3'-C3' 123.906 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.919 1 O5'-C5'-C4' 116.06 4.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 1 O4'-C1'-C2' 101.69 -4.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 0 O3'-P-O5' 96.78 -3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.795 1 C5'-C4'-C3' 105.316 -6.256 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.549 4.732 1 P-O3'-C3' 126.21 5.425 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.162 1 O5'-C5'-C4' 117.405 5.147 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 7.741 1 P-O3'-C3' 126.352 5.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.41 0 O3'-P-O5' 96.493 -3.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.15 1 P-O3'-C3' 124.839 4.283 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 O4'-C4'-C3' 108.907 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.563 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.847 1 O4'-C4'-C3' 111.122 5.522 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.563 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.398 -2.647 0 O4'-C4'-C3' 108.439 2.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -67.78 -14.65 63.13 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.536 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -89.13 -34.18 16.81 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.513 0.197 . . . . 0.0 110.999 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -166.95 155.77 10.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.468 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -64.49 153.52 86.61 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.67 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -76.64 177.02 9.35 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.608 2.206 . . . . 0.0 112.404 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -130.17 164.01 25.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.39 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -136.49 158.6 44.06 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.66 146.18 46.73 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.8 -7.4 43.49 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.693 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -76.66 121.07 84.2 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 122.304 -0.247 . . . . 0.0 110.747 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.04 101.99 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.664 2.243 . . . . 0.0 112.044 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.7 -34.21 2.19 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.657 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -93.32 -79.25 0.41 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m120 49.19 31.79 3.82 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.275 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -79.34 166.74 21.76 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.75 159.49 14.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.499 0.666 . . . . 0.0 111.719 -170.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -144.74 170.3 16.37 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.613 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -120.44 -47.33 2.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.562 0.22 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 71.7 mmtt -86.52 121.39 28.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.05 -45.44 32.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.76 175.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.9 p -68.2 -46.1 71.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.45 -30.16 70.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.342 -177.006 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.43 -39.1 65.27 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.295 169.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -58.28 -38.54 77.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -46.56 70.88 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.02 -39.48 78.46 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.365 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -59.29 -34.89 72.83 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.837 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.9 ttp85 -55.7 -38.43 69.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.85 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -42.3 78.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.596 0.236 . . . . 0.0 110.57 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -82.42 -21.48 35.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.401 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -24.03 67.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.06 11.21 69.63 Favored Glycine 0 CA--C 1.543 1.789 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.354 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -124.46 4.45 8.35 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.613 0.365 . . . . 0.0 111.123 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 115.51 42.78 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.497 0.189 . . . . 0.0 110.573 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.03 108.24 2.41 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.586 2.191 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -110.35 160.07 16.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 173.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -132.47 145.34 51.11 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.01 132.15 46.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.869 0.366 . . . . 0.0 110.663 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.06 -2.94 50.2 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.247 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.63 119.84 13.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -64.99 -5.84 7.18 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -169.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -121.08 10.13 10.68 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 122.129 0.171 . . . . 0.0 111.318 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -99.88 170.93 8.18 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 110.695 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -151.31 34.56 0.57 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.709 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -108.84 142.93 38.71 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.912 0.387 . . . . 0.0 110.677 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -121.81 148.13 45.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 84.3 m-85 -126.25 164.63 20.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.301 -177.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -106.38 2.11 26.25 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.612 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -153.57 152.77 31.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.216 0.532 . . . . 0.0 111.198 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -42.09 84.79 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.007 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -34.15 74.07 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.305 -176.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -62.86 -48.39 79.21 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.667 0.27 . . . . 0.0 110.344 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 tp -62.26 -49.83 74.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -57.05 -44.14 82.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.575 0.226 . . . . 0.0 110.881 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -58.67 -45.71 88.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.402 173.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 72.6 t60 -60.61 -36.85 79.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.934 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -53.36 -38.21 63.11 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.825 -0.17 . . . . 0.0 111.29 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -33.14 63.19 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 122.359 -0.213 . . . . 0.0 110.929 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.72 -37.41 81.64 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.428 0.156 . . . . 0.0 111.176 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -87.59 -38.51 15.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.645 0.259 . . . . 0.0 111.083 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -78.44 -20.69 50.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.181 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.96 -0.66 71.71 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 116.603 -0.271 . . . . 0.0 112.631 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.76 124.26 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.946 0.403 . . . . 0.0 110.948 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -119.29 87.59 35.78 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.919 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.52 -17.49 7.43 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.578 2.185 . . . . 0.0 113.226 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -87.71 90.37 8.35 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.729 0.299 . . . . 0.0 110.302 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -97.22 140.78 31.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.806 0.336 . . . . 0.0 110.995 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.43 140.41 55.78 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -12.77 58.58 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.941 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -63.81 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.2 p -98.58 -4.16 34.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.539 0.209 . . . . 0.0 111.44 -175.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 60.86 21.07 11.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.786 0.434 . . . . 0.0 111.607 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 tpt85 -73.43 146.29 45.16 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.363 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -100.93 148.17 25.31 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 110.907 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -140.08 156.16 46.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.984 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 p -99.38 -8.78 24.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.695 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -136.82 141.7 42.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.869 0.366 . . . . 0.0 110.956 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 p -64.74 -32.74 74.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.226 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -66.51 -36.42 82.68 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.074 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.423 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 67.7 m170 -75.21 -36.5 61.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.895 176.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.72 -47.55 74.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.461 0.172 . . . . 0.0 110.555 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.4 -34.41 77.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.636 0.255 . . . . 0.0 110.641 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 m -66.8 -49.56 65.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.718 0.294 . . . . 0.0 110.584 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.64 -31.89 73.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -54.26 -41.01 68.31 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 122.722 0.409 . . . . 0.0 110.79 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -62.11 -23.11 66.34 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.997 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 m -59.05 -44.72 91.84 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.657 0.265 . . . . 0.0 110.917 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -82.47 -22.48 35.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.706 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.8 -6.26 52.03 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.253 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.97 20.18 57.43 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.44 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 102.21 14.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -171.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -123.77 87.83 52.45 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.39 -15.91 3.36 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.752 2.301 . . . . 0.0 112.961 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -85.6 76.57 9.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.9 p -78.95 145.58 33.92 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.8 t -70.28 161.19 30.81 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 172.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.92 5.55 7.3 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -59.7 148.48 75.12 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-O 120.714 0.293 . . . . 0.0 110.627 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.51 27.45 0.31 Allowed 'Trans proline' 0 CA--C 1.553 1.434 0 C-N-CA 123.031 2.487 . . . . 0.0 113.316 -169.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 m -164.21 20.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.824 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.556 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 24.9 t -118.69 168.88 10.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.331 0.586 . . . . 0.0 111.628 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.16 15.95 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.177 178.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 26.6 mtmm -85.5 147.97 26.19 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -172.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -128.6 148.63 50.8 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.08 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -129.59 159.43 36.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.606 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.46 -1.5 50.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -133.7 137.88 45.52 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.936 0.398 . . . . 0.0 110.698 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -57.25 -45.97 83.46 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.84 -33.5 75.73 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.631 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.7 -43.11 98.19 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.95 -40.34 91.26 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.026 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.17 -44.47 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.33 -46.64 87.81 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.595 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -54.32 -49.25 70.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.716 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.67 -40.17 75.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.025 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -72.0 -15.62 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.471 0.177 . . . . 0.0 111.139 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.5 mtt -108.09 7.11 27.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.401 0.28 . . . . 0.0 110.828 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.686 0.279 . . . . 0.0 110.959 -173.65 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 C5'-C4'-C3' 111.209 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C4'-C3' 107.809 2.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.648 0 C1'-O4'-C4' 104.176 -3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 2 O4'-C4'-C3' 111.193 5.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.263 1 O4'-C4'-C3' 110.047 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.423 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.405 -3.71 0 O3'-P-O5' 97.747 -3.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 C5'-C4'-C3' 106.515 -5.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.968 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O3'-P-O5' 96.273 -4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 1 C5'-C4'-C3' 108.577 -4.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.584 4 C5'-C4'-C3' 106.604 -5.397 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.541 3 O4'-C4'-C3' 111.511 5.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.57 5.205 1 O3'-P-O5' 95.864 -4.282 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -4.964 2 O4'-C4'-C3' 113.671 8.071 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.478 1 O5'-C5'-C4' 116.716 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.16 1 P-O3'-C3' 125.092 4.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.672 1 O5'-C5'-C4' 116.316 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.636 1 P-O3'-C3' 125.506 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.777 0 P-O3'-C3' 123.386 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.63 1 O4'-C4'-C3' 109.834 4.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.401 -2.438 1 P-O3'-C3' 124.734 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.125 0 O4'-C4'-C3' 108.26 2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.215 0 O4'-C1'-C2' 102.628 -3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.7 0 O4'-C4'-C3' 108.954 3.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 1 P-O3'-C3' 125.367 4.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.816 0 O4'-C4'-C3' 109.257 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.492 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.551 2.277 1 O4'-C4'-C3' 110.63 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 151' ' ' ' DG' . . . . . 0.492 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.302 0 P-O3'-C3' 123.683 3.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 86.4 m-85 . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.42 158.69 43.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 168.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.52 140.06 46.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.03 0.93 57.43 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -80.55 126.96 77.23 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -68.45 -15.11 41.42 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.716 2.277 . . . . 0.0 113.103 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.72 -4.33 85.26 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 121.329 -0.462 . . . . 0.0 112.322 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -124.89 -75.89 0.59 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.431 0.292 . . . . 0.0 110.656 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.28 26.95 7.34 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.371 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -82.27 170.83 14.94 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.365 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -98.88 154.72 17.82 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.307 0.575 . . . . 0.0 111.652 -172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 24' ' ' LEU . 73.2 m-85 -140.33 168.67 19.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.708 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.46 -35.2 3.14 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.311 -174.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.5 mppt? -103.82 118.15 36.02 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.295 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 1.9 pt? -49.16 -44.03 42.43 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.622 0.249 . . . . 0.0 111.098 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -68.06 -45.31 74.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.9 -29.42 70.6 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.599 0.237 . . . . 0.0 110.539 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.22 -38.97 65.87 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.005 169.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.46 76.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 174.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.22 -47.72 72.92 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.86 -41.17 81.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.055 0.455 . . . . 0.0 110.584 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 t -59.07 -30.14 67.85 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.064 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -55.09 -38.07 67.64 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -40.08 73.38 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.512 176.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -81.23 -21.4 39.54 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -57.47 -23.25 48.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 122.296 -0.252 . . . . 0.0 111.019 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.55 21.4 39.08 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 116.529 -0.305 . . . . 0.0 112.418 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -128.97 16.52 6.24 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.511 0.324 . . . . 0.0 111.374 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -105.04 102.32 35.3 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 122.226 0.21 . . . . 0.0 110.574 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.32 86.3 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.6 2.2 . . . . 0.0 113.165 -170.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 54' ' ' LEU . 78.9 m-85 -75.64 166.55 23.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.684 169.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.47 153.37 50.95 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.761 0.315 . . . . 0.0 110.691 175.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.46 143.06 46.83 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.01 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.11 -10.27 42.55 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 42.6 m-85 -70.27 156.37 39.36 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.038 0.446 . . . . 0.0 111.334 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -88.74 -8.74 53.93 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.594 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.56 13.76 29.53 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 1.9 t -138.71 173.11 11.92 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.98 175.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -160.87 29.84 0.15 Allowed 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' HD2' ' CE1' ' A' ' 57' ' ' HIS . 81.4 mtt85 -85.8 161.81 18.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.596 -174.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -130.24 141.38 50.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.5 m-85 -128.35 139.35 52.44 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.7 p -86.98 2.13 50.52 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -141.26 148.51 39.97 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 120.901 0.381 . . . . 0.0 110.747 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -44.52 92.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.26 -37.63 88.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -62.51 -48.85 77.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.499 0.19 . . . . 0.0 110.752 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' TYR . 41.1 tp -62.2 -48.1 81.49 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.648 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.3 -41.34 88.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.532 0.206 . . . . 0.0 111.1 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.21 -47.46 82.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.254 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 54.0 t-80 -60.74 -37.64 82.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.333 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -53.16 -38.33 62.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.543 0.211 . . . . 0.0 110.5 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -56.98 -33.23 66.89 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.556 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.25 -31.75 63.84 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.45 0.167 . . . . 0.0 111.054 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 85.0 m-70 -90.13 -39.81 12.63 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.1 p -77.24 -25.01 51.12 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.568 0.223 . . . . 0.0 111.137 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.92 4.65 88.64 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.577 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.7 126.83 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.004 0.43 . . . . 0.0 110.732 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -131.16 79.93 69.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.317 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.7 -16.65 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.783 2.322 . . . . 0.0 113.257 -171.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.679 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.9 m-85 -86.27 96.78 10.07 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -104.11 134.95 46.51 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 120.974 0.416 . . . . 0.0 110.953 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.12 140.59 58.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.903 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -77.64 -18.88 56.3 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 -65.25 1.01 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -172.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -99.96 -2.67 34.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.605 0.241 . . . . 0.0 111.37 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.27 22.83 13.13 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -65.51 155.28 36.13 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -121.45 133.98 55.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.21 162.62 27.42 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.23 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t -113.1 4.62 16.71 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.441 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -136.07 127.64 28.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.29 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -58.65 -32.76 69.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.995 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.77 -40.6 88.29 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.071 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -67.68 -43.02 81.15 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.608 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.4 tt -65.69 -47.57 75.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.298 0.094 . . . . 0.0 110.829 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.42 -34.5 77.87 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.565 0.221 . . . . 0.0 110.448 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -49.54 68.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' O ' ' HB ' ' A' ' 88' ' ' THR . 52.6 t60 -64.02 -31.7 72.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -57.52 -41.42 80.83 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.518 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -65.28 -24.53 67.33 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.115 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 35.2 m -67.21 -34.08 76.73 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.385 0.136 . . . . 0.0 110.75 174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -86.39 -22.04 26.83 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.529 0.204 . . . . 0.0 110.898 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.053 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.04 14.15 55.16 Favored Glycine 0 CA--C 1.545 1.914 0 C-N-CA 121.467 -0.397 . . . . 0.0 112.429 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.76 98.13 6.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.941 0.401 . . . . 0.0 110.615 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.18 80.14 27.53 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.73 -14.02 7.91 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.817 2.345 . . . . 0.0 112.936 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.12 74.44 10.48 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.823 0.344 . . . . 0.0 110.695 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -85.56 144.24 28.02 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.913 0.387 . . . . 0.0 110.752 176.144 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.03 154.44 41.94 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.251 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -111.74 0.32 16.22 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.292 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 16.6 m95 -64.97 157.27 76.95 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-O 120.511 0.196 . . . . 0.0 110.706 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 99' ' ' TRP . 31.6 Cg_exo -68.48 7.35 0.71 Allowed 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 122.827 2.351 . . . . 0.0 113.991 -170.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 m -174.88 74.4 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.589 0.233 . . . . 0.0 110.611 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.4 t -164.48 -80.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.896 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 62.41 14.93 7.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.153 0.581 . . . . 0.0 111.864 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -55.22 137.74 46.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -109.46 140.27 43.41 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.136 0.493 . . . . 0.0 111.555 -169.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -130.62 160.37 34.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.51 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.44 2.11 49.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -135.92 136.42 40.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.094 0.473 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 p -57.18 -47.11 82.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.76 -33.51 76.03 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.604 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.54 -44.82 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.82 -39.07 93.34 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.833 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.8 t -59.13 -47.48 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 120.463 0.173 . . . . 0.0 110.723 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -63.6 -46.48 85.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.4 -45.71 72.98 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.857 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -60.89 -33.88 73.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.1 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -71.53 -15.65 62.3 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.527 0.204 . . . . 0.0 110.931 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.7 tpp -79.11 -16.41 56.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.048 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 C--N 1.349 0.558 0 CA-C-O 120.79 0.329 . . . . 0.0 110.479 176.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.674 0.273 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.2 mtm -136.29 158.81 43.54 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 169.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.31 136.21 46.16 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.098 0.475 . . . . 0.0 110.858 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.3 -14.76 59.28 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.665 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 41.6 t80 -74.64 122.42 87.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 CA-C-O 120.409 0.147 . . . . 0.0 110.975 -175.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -56.71 -24.63 55.98 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 122.95 2.434 . . . . 0.0 113.395 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.24 -4.97 90.02 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.307 -0.473 . . . . 0.0 112.434 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 t -126.5 -73.65 0.61 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.467 0.307 . . . . 0.0 110.788 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 45.29 38.55 3.57 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.788 0.435 . . . . 0.0 111.395 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -80.45 -179.65 7.26 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 171.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -104.46 154.76 19.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.111 0.482 . . . . 0.0 111.233 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.702 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -140.92 167.63 21.72 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.76 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -122.71 -35.04 3.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 33.3 mmtp -103.7 116.51 32.47 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.381 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.686 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.69 -42.38 16.44 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 120.618 0.247 . . . . 0.0 110.996 179.064 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.565 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -45.92 72.05 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.89 -29.43 69.32 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.662 0.268 . . . . 0.0 110.32 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.32 -39.23 65.42 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.165 169.683 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -58.23 -38.9 77.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.677 0.275 . . . . 0.0 110.37 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmt -66.33 -46.87 75.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -57.93 -35.0 70.48 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -59.24 -35.06 72.99 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.39 69.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.642 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.514 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.26 -38.85 77.73 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 58.8 m-70 -86.2 -21.31 27.54 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -26.03 35.77 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.455 0.169 . . . . 0.0 111.277 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 -20.09 33.94 Favored Glycine 0 CA--C 1.551 2.294 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.51 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.79 -10.3 51.37 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.406 0.283 . . . . 0.0 110.99 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 65.6 8.84 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 122.813 0.445 . . . . 0.0 109.856 173.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.12 127.0 12.3 Favored 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 122.37 2.047 . . . . 0.0 112.473 -173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -73.4 162.4 29.35 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 169.395 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.75 152.43 51.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -66.91 154.33 41.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.421 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.37 11.57 13.09 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.74 -15.99 63.36 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.342 0.257 . . . . 0.0 111.381 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 75.79 -45.09 0.53 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.541 0.736 . . . . 0.0 111.151 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.64 25.03 0.94 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.71 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.3 t -148.5 -76.86 0.16 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 57.61 27.18 13.81 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -69.35 150.56 47.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -103.51 151.41 22.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 111.167 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 94.5 m-85 -135.78 164.63 27.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.1 p -108.28 1.55 22.04 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.793 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.8 mtm-85 -150.35 157.45 43.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.022 0.439 . . . . 0.0 111.057 174.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.53 87.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.629 176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.3 -36.49 77.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.439 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.436 HE21 ' NH2' ' A' ' 50' ' ' ARG . 61.0 mt-30 -63.69 -45.72 88.76 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.752 0.31 . . . . 0.0 110.192 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.5 tp -64.63 -47.6 77.96 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.981 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.27 -42.45 98.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 120.619 0.247 . . . . 0.0 110.999 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.99 -46.33 91.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.346 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 9.1 t60 -60.72 -41.75 95.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -53.44 -30.64 41.56 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 122.276 0.23 . . . . 0.0 111.496 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -54.95 -33.0 61.88 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.559 0.218 . . . . 0.0 110.587 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -55.8 -44.16 77.57 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -87.85 -39.02 15.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.6 p -70.44 -23.44 62.72 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.67 87.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 121.512 -0.375 . . . . 0.0 112.19 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.488 HG12 ' HD3' ' A' ' 66' ' ' PRO . 54.7 t -75.63 99.76 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.081 0.467 . . . . 0.0 110.726 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -115.84 77.88 6.85 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.979 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD3' HG12 ' A' ' 64' ' ' VAL . 83.3 Cg_endo -80.66 -20.38 7.99 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.848 2.365 . . . . 0.0 113.154 -170.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.607 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.1 m-85 -78.68 86.32 4.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -97.33 138.38 34.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.737 0.303 . . . . 0.0 110.649 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.68 133.5 52.29 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -12.64 59.2 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.96 -53.7 4.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.525 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 15.9 p -103.84 -104.28 0.3 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.172 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -164.59 11.04 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.94 120.14 9.07 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.506 -174.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -102.34 140.03 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.95 159.95 40.36 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.374 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.1 m -106.61 4.09 27.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -138.74 123.87 19.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -62.07 -28.18 69.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.283 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -66.51 -37.46 85.1 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 120.523 0.202 . . . . 0.0 111.042 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.55 -36.56 63.1 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.854 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -66.79 -47.67 71.39 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.7 -34.37 75.65 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.263 . . . . 0.0 110.646 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 m -66.89 -49.52 65.36 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.64 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.74 -30.74 71.81 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -54.19 -40.57 67.68 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.927 0.491 . . . . 0.0 110.678 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -61.79 -23.17 66.04 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.103 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 m -57.27 -43.7 83.33 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.678 0.275 . . . . 0.0 110.713 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.64 -22.08 24.93 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.778 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.1 m -91.79 -6.4 51.83 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.399 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.49 12.11 44.53 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.57 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.83 103.07 6.58 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.79 82.52 54.92 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -87.48 -13.31 4.24 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.806 2.337 . . . . 0.0 113.124 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -84.13 76.3 10.09 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.749 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 t -79.29 146.06 33.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.5 t -70.35 161.09 31.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.164 0.507 . . . . 0.0 110.953 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.48 2.61 8.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.95 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -63.81 149.26 93.38 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.83 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -68.03 20.34 0.13 Allowed 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.082 2.521 . . . . 0.0 113.868 -172.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 m -164.39 25.59 0.07 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.036 0.135 . . . . 0.0 110.985 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.519 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 45.0 t -141.45 163.71 32.2 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.389 0.614 . . . . 0.0 111.496 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.2 tp-100 -163.82 36.16 0.08 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.152 169.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.519 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -71.78 147.42 47.29 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.955 175.596 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.11 142.1 49.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.199 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -128.65 162.37 27.48 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.898 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.06 -2.85 39.28 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -134.68 144.23 47.68 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.144 0.497 . . . . 0.0 110.86 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.616 ' O ' HG13 ' A' ' 113' ' ' VAL . 13.5 p -57.65 -50.2 73.95 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.601 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.45 -33.48 75.65 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -60.51 -42.57 96.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.971 -0.456 . . . . 0.0 109.911 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -68.67 -40.39 80.19 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.144 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 109' ' ' SER . 17.4 m -60.9 -41.32 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -63.81 -46.6 84.4 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.675 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -54.4 -49.38 70.06 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.605 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.84 -37.76 74.44 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.977 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -17.82 63.87 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.506 0.194 . . . . 0.0 111.079 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.1 mtp -105.61 1.0 26.96 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.906 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -171.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.766 0.317 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.7 mtp -136.14 156.88 48.04 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 42.1 t -90.95 137.35 32.43 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.563 171.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.13 59.6 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.383 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 t80 -79.82 132.98 59.32 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.64 -34.35 25.49 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.411 2.074 . . . . 0.0 112.654 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.64 62.21 2.34 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 39.2 t -146.5 177.56 8.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.854 0.359 . . . . 0.0 110.129 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -70.5 -24.48 62.85 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.145 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 37.1 mtmm 64.53 23.64 12.92 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 123.562 0.745 . . . . 0.0 111.741 171.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -141.86 142.26 33.11 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.838 ' CD2' HD23 ' A' ' 24' ' ' LEU . 37.2 m-85 -145.01 170.23 16.56 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.68 -12.31 8.89 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB3' ' CG ' ' A' ' 23' ' ' HIS . 11.1 tppt? -131.81 132.54 43.83 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.261 0.224 . . . . 0.0 110.628 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -52.9 -53.14 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -67.91 -46.03 72.71 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.65 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.99 -30.16 71.13 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.36 -177.341 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.37 -40.69 64.16 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.378 170.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -58.25 -41.19 83.67 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.654 0.264 . . . . 0.0 110.397 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -44.74 79.09 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 36.5 t60 -57.93 -39.8 78.89 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 120.768 0.318 . . . . 0.0 110.7 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.24 -34.93 72.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.537 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -55.84 -38.48 70.11 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.69 -33.66 71.88 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.412 0.149 . . . . 0.0 111.169 -177.234 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.1 m-70 -79.5 -20.85 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -175.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -48.69 -33.0 9.29 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.69 0.82 59.61 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.662 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -103.13 3.52 35.96 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.749 0.275 . . . . 0.0 111.14 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -113.95 83.0 7.28 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 170.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.18 171.51 18.16 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.853 2.369 . . . . 0.0 113.308 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -137.01 176.0 9.1 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.519 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.7 157.7 44.22 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.648 0.261 . . . . 0.0 110.483 170.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -68.92 146.52 52.72 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 170.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.28 -9.92 46.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.039 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 14.9 t80 -72.51 109.95 6.55 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.92 0.391 . . . . 0.0 109.949 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -68.17 -13.17 62.03 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.088 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.0 -1.65 58.21 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.93 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 3.6 t -118.32 -66.34 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 52.8 32.42 12.24 Favored 'General case' 0 CA--C 1.561 1.397 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -72.07 155.26 40.49 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.098 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -113.52 145.81 40.62 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 98.8 m-85 -127.65 164.64 21.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.505 -176.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.2 p -105.16 -25.98 12.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.425 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -128.99 149.83 50.66 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.862 0.363 . . . . 0.0 110.768 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.1 t -61.48 -39.46 91.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -67.96 -33.84 75.42 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.56 -44.95 96.1 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.799 0.333 . . . . 0.0 110.277 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.86 -46.31 75.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.037 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -61.75 -41.19 97.35 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.431 0.158 . . . . 0.0 110.858 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -60.63 -47.49 86.01 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.721 0.296 . . . . 0.0 110.309 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 19.8 t60 -60.78 -41.75 96.19 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -53.44 -29.8 37.35 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 122.657 0.383 . . . . 0.0 111.508 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -55.01 -32.85 62.13 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 120.551 0.215 . . . . 0.0 110.685 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -55.67 -38.15 69.23 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.762 0.425 . . . . 0.0 111.542 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -99.04 -38.43 8.96 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.594 0.235 . . . . 0.0 111.235 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.8 p -72.23 -28.88 63.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.68 1.2 83.27 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.762 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.1 110.78 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.133 0.492 . . . . 0.0 110.713 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -114.92 83.47 9.47 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.13 -17.71 13.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.529 2.153 . . . . 0.0 113.408 -170.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.595 ' HB3' HD13 ' A' ' 82' ' ' LEU . 91.9 m-85 -87.67 89.21 7.91 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -98.66 130.02 45.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.718 0.295 . . . . 0.0 111.014 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.31 128.56 36.88 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.269 170.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mmpt? -80.1 -4.84 54.48 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.1 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -68.23 0.8 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.431 0.292 . . . . 0.0 110.665 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.46 -4.09 55.92 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.39 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 69.69 12.89 8.14 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.846 0.459 . . . . 0.0 111.517 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -70.79 147.5 48.87 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 120.604 0.24 . . . . 0.0 110.721 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -114.13 127.9 56.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.844 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -121.11 160.7 23.15 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.462 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.8 p -107.33 0.67 23.22 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -139.52 129.38 24.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 p -61.9 -33.47 74.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.32 -35.49 80.51 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -76.3 -37.12 57.91 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.883 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.92 -45.53 85.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.467 0.175 . . . . 0.0 110.558 176.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.66 -34.38 78.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.56 0.219 . . . . 0.0 110.612 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.9 m -65.3 -49.41 69.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.498 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.442 ' O ' ' HB ' ' A' ' 88' ' ' THR . 31.6 t60 -64.42 -31.16 72.25 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 177.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -55.71 -41.22 73.51 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.585 0.231 . . . . 0.0 110.503 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -63.08 -25.41 68.35 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.178 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 38.3 m -66.25 -37.16 84.85 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.341 0.115 . . . . 0.0 110.76 174.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -82.04 -22.36 36.47 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 0.0 110.721 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.3 m -91.87 -6.2 51.95 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.147 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.98 16.85 49.58 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 121.408 -0.425 . . . . 0.0 112.346 -175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -81.09 116.75 21.17 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 -172.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -126.92 83.84 64.78 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.35 -18.7 3.94 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.655 2.236 . . . . 0.0 112.924 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.8 m-85 -80.54 77.87 7.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.921 0.391 . . . . 0.0 110.702 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.7 m -78.83 140.77 38.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' A' ' 112' ' ' LEU . 12.2 t -70.34 148.32 48.59 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.893 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.3 -11.64 45.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.943 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -74.46 132.77 78.12 Favored Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.01 -47.88 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.58 2.187 . . . . 0.0 112.339 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -76.52 54.09 0.91 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.636 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.77 -84.02 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 53.97 30.7 12.16 Favored 'General case' 0 CA--C 1.562 1.412 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.678 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -70.98 154.85 41.47 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -128.43 127.6 42.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 111.037 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.68 162.62 16.03 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.976 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.54 0.28 41.99 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.223 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -137.06 137.92 39.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 110.609 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.8 p -57.12 -46.8 82.33 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.89 -33.72 75.89 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.585 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -60.72 -44.34 96.72 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 174.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 97' ' ' CYS . 52.2 tp -68.44 -37.82 80.58 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.112 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.3 t -58.23 -47.41 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.182 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.29 -46.45 90.28 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.48 -49.82 69.23 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.877 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -57.22 -37.28 72.0 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.574 0.226 . . . . 0.0 110.865 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -15.66 63.66 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.096 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -114.2 7.7 16.65 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.96 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.014 -173.883 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 158.61 44.04 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 169.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 13.6 t -78.66 145.79 34.41 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.927 0.394 . . . . 0.0 110.622 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.56 -1.77 55.06 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.811 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -75.21 124.86 89.48 Favored Pre-proline 0 CA--C 1.555 1.15 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.9 -28.39 58.53 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.917 2.411 . . . . 0.0 113.539 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.31 -3.79 86.74 Favored Glycine 0 CA--C 1.544 1.886 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.538 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.8 t -115.4 -81.36 0.61 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.611 0.364 . . . . 0.0 110.68 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.54 21.1 9.6 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.609 0.364 . . . . 0.0 111.061 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -81.78 162.61 22.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 120.619 0.247 . . . . 0.0 110.508 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.7 158.78 15.39 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.277 0.561 . . . . 0.0 111.731 -171.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.756 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.7 m-85 -144.88 170.18 16.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.895 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.25 -44.69 2.87 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.269 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 26.4 mtmm -95.29 121.1 36.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.589 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -50.8 -43.69 58.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.669 0.271 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.26 -46.08 71.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.681 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.11 -29.45 70.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.577 0.227 . . . . 0.0 110.478 -177.703 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.16 -40.38 64.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 170.198 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -38.46 76.22 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.712 0.292 . . . . 0.0 110.303 176.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -45.24 76.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 173.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -58.06 -45.39 87.16 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.194 -0.316 . . . . 0.0 110.638 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -59.23 -33.05 70.53 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.896 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.38 -37.89 68.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.568 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.25 -36.72 68.86 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.583 0.23 . . . . 0.0 111.148 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -71.42 -20.84 62.06 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -54.26 -20.16 6.57 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.32 16.81 57.68 Favored Glycine 0 CA--C 1.548 2.136 0 C-N-CA 121.674 -0.298 . . . . 0.0 112.486 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.28 20.98 6.75 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.446 0.298 . . . . 0.0 111.072 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -111.75 94.68 24.99 Favored Pre-proline 0 N--CA 1.475 0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.623 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.45 78.5 2.69 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.782 2.321 . . . . 0.0 112.496 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 54' ' ' LEU . 88.6 m-85 -71.05 165.96 22.39 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.087 169.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -132.47 148.11 52.39 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.586 0.232 . . . . 0.0 110.599 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -65.94 148.84 51.17 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 169.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -93.28 -12.58 29.76 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.148 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -69.18 115.58 8.63 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.782 0.325 . . . . 0.0 110.229 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -59.98 -30.44 69.12 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.96 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.93 9.23 10.48 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.513 0.197 . . . . 0.0 111.182 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.2 -74.07 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.532 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 48.12 34.05 4.04 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.616 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -78.8 155.72 29.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.786 0.327 . . . . 0.0 110.302 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.78 143.23 35.17 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 92.2 m-85 -129.62 139.36 51.46 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -82.75 -5.65 59.01 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -170.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -145.55 153.14 40.77 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 t -58.01 -42.05 84.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.803 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.04 -42.6 98.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.144 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.76 -49.73 75.24 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.707 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 37' ' ' TYR . 34.1 tp -62.31 -46.11 90.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.814 177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -59.46 -45.44 91.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.484 0.314 . . . . 0.0 111.055 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -62.0 -47.43 84.81 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.752 0.31 . . . . 0.0 110.266 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 18.0 t60 -60.67 -39.61 89.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -53.19 -36.7 61.23 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.621 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -33.1 61.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.005 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.58 -38.59 69.57 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.563 0.345 . . . . 0.0 111.135 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -83.77 -24.36 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.174 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -74.33 -32.4 62.8 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.505 0.193 . . . . 0.0 110.94 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.82 -7.33 42.8 Favored Glycine 0 CA--C 1.547 2.04 0 C-N-CA 121.646 -0.312 . . . . 0.0 112.601 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.79 132.48 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.845 0.355 . . . . 0.0 110.749 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -126.76 86.24 59.06 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.31 -19.68 6.47 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.724 2.283 . . . . 0.0 113.135 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.0 m-85 -82.31 88.37 6.54 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.49 135.81 34.38 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.685 0.278 . . . . 0.0 110.867 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.92 139.7 58.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.088 0.47 . . . . 0.0 110.565 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.497 ' H ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.01 -21.67 63.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 175.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -74.74 0.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -170.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -86.41 -6.22 58.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.324 0.25 . . . . 0.0 111.344 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 65.53 19.87 11.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 122.745 0.418 . . . . 0.0 111.418 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -66.12 135.46 54.61 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.44 137.63 42.03 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.86 160.56 32.24 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.395 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -105.72 1.5 27.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -138.18 133.31 33.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -67.06 -33.7 76.07 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.04 -35.49 80.68 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.963 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -68.8 -42.71 76.94 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.649 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.12 -47.56 76.7 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.401 0.144 . . . . 0.0 110.843 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.2 -36.18 79.19 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.67 0.271 . . . . 0.0 110.665 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 m -66.88 -49.66 64.93 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.69 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -63.32 -32.43 73.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.8 m -54.22 -41.15 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.629 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -63.65 -23.11 67.24 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.593 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 p -62.84 -25.96 68.52 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 120.55 0.214 . . . . 0.0 110.734 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -93.9 -28.81 15.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.199 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.71 -6.35 52.15 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.12 10.91 43.15 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.545 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -70.87 97.21 1.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -123.51 80.89 54.06 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.05 -16.09 10.07 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.633 2.222 . . . . 0.0 113.133 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.69 76.55 9.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.951 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.8 p -79.39 137.47 37.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.33 133.87 47.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.378 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -105.65 8.45 33.11 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.194 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -58.61 146.39 73.93 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.3 26.93 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.36 0 C-N-CA 123.075 2.516 . . . . 0.0 112.918 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 m -162.17 24.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.615 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.1 t -140.48 170.57 15.54 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.099 0.476 . . . . 0.0 111.186 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.447 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.0 tp-100 -166.53 27.29 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.438 173.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.93 151.78 38.86 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -128.49 129.74 46.5 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -118.09 160.72 21.05 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.988 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.52 -2.77 35.01 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -131.95 139.57 48.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.669 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.625 ' O ' HG13 ' A' ' 113' ' ' VAL . 31.9 t -57.13 -47.47 81.05 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.59 -33.36 75.73 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.583 0.353 . . . . 0.0 111.857 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.48 -40.99 93.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.834 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -69.77 -40.55 76.0 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.172 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 109' ' ' SER . 21.4 m -60.13 -41.55 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.54 -46.52 79.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.664 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.38 -45.03 80.72 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.643 0.258 . . . . 0.0 111.015 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.76 -34.22 69.32 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.0 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -72.41 -15.65 61.84 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.243 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.0 mtt -75.34 -19.0 59.86 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 120.407 0.146 . . . . 0.0 110.918 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 . . . . . 0 C--N 1.347 0.497 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 177.624 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 120.557 0.217 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.411 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 83.7 mtp -136.06 158.82 43.49 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.052 0.453 . . . . 0.0 111.52 -177.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' HE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -110.43 155.84 21.65 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.107 169.691 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.13 5.75 20.3 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.732 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 13.4 t80 -97.21 125.46 45.61 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.608 0.242 . . . . 0.0 110.81 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -71.51 83.66 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.635 2.223 . . . . 0.0 112.261 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.46 -17.44 0.43 Allowed Glycine 0 CA--C 1.539 1.587 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.342 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 28.9 t -88.65 -171.75 3.45 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.205 0.526 . . . . 0.0 110.959 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 8.5 m-80 -61.19 -36.23 79.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.171 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.65 6.35 5.79 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.778 0.431 . . . . 0.0 110.966 -174.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 34.1 mmt180 -146.34 144.49 29.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.759 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.733 ' CD1' HD23 ' A' ' 24' ' ' LEU . 32.6 m-85 -144.81 169.99 16.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.291 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -117.44 -15.76 10.27 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 40.4 mmtm -131.14 123.88 29.52 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.689 0.281 . . . . 0.0 110.621 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.3 tp -49.03 -49.12 42.69 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 p -68.11 -46.03 72.07 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.013 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.18 -30.76 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 -177.761 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.42 -39.04 65.34 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.151 170.124 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -43.62 87.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -45.34 93.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' HE1' ' SG ' ' A' ' 9' ' ' CYS . 10.9 t-80 -57.79 -34.1 69.24 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.612 0.244 . . . . 0.0 111.161 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -58.71 -34.39 71.27 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -54.76 -38.13 66.84 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.506 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 37.8 ttpt -56.41 -47.52 78.85 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.799 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.7 m-70 -89.87 -21.43 22.53 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -14.49 41.42 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.485 0.183 . . . . 0.0 111.087 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.41 5.06 33.24 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 116.411 -0.358 . . . . 0.0 112.412 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.12 -46.26 3.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.457 0.303 . . . . 0.0 110.872 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.24 90.77 25.45 Favored Pre-proline 0 N--CA 1.472 0.651 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.74 162.29 29.97 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.566 2.178 . . . . 0.0 112.59 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.02 171.33 10.82 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.708 169.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -132.47 152.0 51.69 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 t -54.87 134.29 48.21 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -99.29 9.77 42.71 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.41 163.18 21.4 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.065 0.46 . . . . 0.0 111.137 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -69.05 -27.67 65.85 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.422 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -140.57 71.55 1.37 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 120.892 0.377 . . . . 0.0 110.726 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.8 170.83 21.18 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.382 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -157.29 28.51 0.29 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.712 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -83.92 154.62 23.28 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -123.27 150.72 43.15 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 90.6 m-85 -132.45 164.69 26.0 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.603 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -104.65 -1.92 25.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.583 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -153.96 152.98 31.19 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 t -57.75 -34.14 69.22 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.002 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.0 -42.53 80.57 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.975 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.53 -42.94 99.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 110.382 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.3 tp -64.18 -47.88 78.12 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.036 176.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -63.32 -39.4 94.45 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 120.396 0.141 . . . . 0.0 111.068 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -58.89 -45.92 89.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 171.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.6 t60 -60.65 -41.43 94.96 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.74 -38.44 64.38 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.162 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -57.67 -33.25 68.14 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 122.429 -0.17 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -62.69 -38.13 89.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.466 0.175 . . . . 0.0 111.106 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -81.2 -39.85 24.77 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.9 p -80.01 -21.82 43.15 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.28 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.76 10.62 86.03 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 121.489 -0.386 . . . . 0.0 112.313 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 66' ' ' PRO . 51.9 t -70.42 102.28 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.939 0.4 . . . . 0.0 110.799 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -119.75 81.05 25.04 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 64' ' ' VAL . 84.9 Cg_endo -81.22 -19.58 7.87 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.701 2.267 . . . . 0.0 113.042 -171.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.645 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.5 m-85 -80.08 75.22 6.84 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.685 0.278 . . . . 0.0 110.545 -178.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -91.12 129.81 37.08 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.941 0.4 . . . . 0.0 111.298 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.71 129.35 39.48 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.754 173.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -90.49 -5.21 56.31 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -48.89 12.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 174.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 24.3 p -108.32 -104.38 0.36 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 171.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -163.0 6.39 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 175.097 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -62.12 120.04 10.11 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.661 -170.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -97.87 122.55 41.12 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 157.39 23.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 p -106.21 0.81 25.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -137.64 129.12 28.15 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.636 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 p -62.29 -26.99 68.71 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.284 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.76 -36.01 79.74 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.632 0.253 . . . . 0.0 111.132 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -76.81 -37.79 55.08 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.669 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.35 0.119 . . . . 0.0 110.716 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.92 -40.07 94.21 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.692 0.282 . . . . 0.0 110.625 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.0 m -61.77 -49.7 75.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.571 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -65.11 -34.73 79.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -57.72 -41.58 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.434 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -71.8 -22.87 61.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.791 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -30.1 71.05 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.775 170.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -89.59 -18.67 26.12 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.561 0.219 . . . . 0.0 110.809 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -95.41 -6.14 41.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.163 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.8 2.03 34.95 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.794 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.56 105.68 3.2 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.903 0.383 . . . . 0.0 111.032 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.84 85.71 45.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.06 -9.21 7.5 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.707 2.271 . . . . 0.0 113.347 -173.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.2 m-85 -90.44 79.14 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 t -78.73 145.98 34.15 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.678 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.3 t -70.29 161.26 30.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 171.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -127.54 8.05 6.4 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -67.32 148.37 98.74 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.696 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.68 33.36 0.37 Allowed 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.216 2.611 . . . . 0.0 113.131 -172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.4 p -164.47 7.94 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.389 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 17.7 t -101.62 171.52 7.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.423 0.63 . . . . 0.0 111.639 -171.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.473 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.93 22.7 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.041 -178.272 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -102.61 146.96 27.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.589 -173.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -128.56 149.58 50.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.008 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.82 162.24 27.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.667 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.58 -3.0 40.48 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -134.02 141.54 47.27 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.831 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 17.9 p -57.19 -48.49 78.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.431 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.02 -33.5 75.89 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.665 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.69 -44.34 96.67 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.0 tp -65.61 -39.39 91.46 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.991 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.28 -45.07 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.28 -46.69 87.65 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.526 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -54.45 -50.02 68.69 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.51 0.195 . . . . 0.0 110.75 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -56.69 -38.63 72.53 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.886 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -17.96 63.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.109 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -107.04 3.42 25.9 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 122.411 0.284 . . . . 0.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.343 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.051 -172.249 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 92.1 m-85 . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.6 mtp -136.4 157.0 47.83 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.296 169.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.0 t -76.63 151.85 36.06 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.148 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.53 -1.22 38.87 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.673 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.42 125.43 82.99 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-O 120.423 0.154 . . . . 0.0 110.743 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.89 -26.34 57.36 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 122.802 2.335 . . . . 0.0 113.484 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.64 1.45 85.59 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.649 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -133.09 -80.89 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.43 0.292 . . . . 0.0 110.608 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 51.76 32.21 9.19 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.313 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.86 168.5 16.04 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.378 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 159.12 15.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.317 0.579 . . . . 0.0 111.621 -172.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.722 ' CD2' HD23 ' A' ' 24' ' ' LEU . 71.2 m-85 -142.79 170.15 16.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.973 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -121.63 -46.36 2.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.301 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -91.9 117.62 29.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.416 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.0 pt? -50.66 -41.89 55.96 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.043 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 p -68.08 -45.91 72.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.638 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -30.85 71.9 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.569 0.223 . . . . 0.0 110.426 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.722 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.12 -39.75 65.51 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 169.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -58.07 -39.29 78.14 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.41 81.45 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.763 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -57.94 -37.47 74.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.724 0.297 . . . . 0.0 110.584 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.08 -34.68 72.26 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.746 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -55.44 -38.38 68.94 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.525 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -56.25 -43.97 79.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 44.5 m-70 -76.31 -21.3 56.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.678 -172.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.2 p -57.14 -26.85 61.22 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.465 0.174 . . . . 0.0 111.021 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.22 11.24 58.49 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.477 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -121.58 2.99 10.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.365 0.266 . . . . 0.0 111.415 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -69.81 112.88 13.74 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -75.96 120.29 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.497 ' HB3' HD22 ' A' ' 54' ' ' LEU . 86.6 m-85 -127.4 158.42 37.37 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 170.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -132.6 157.72 44.05 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.735 0.303 . . . . 0.0 110.698 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' HE1' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -77.47 148.79 35.18 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.023 175.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.13 -15.09 29.98 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' A' ' 61' ' ' HIS . 3.6 m-85 -67.98 126.34 29.16 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.68 66.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.088 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.71 -5.5 56.96 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 45.4 t -104.68 -77.37 0.58 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.637 0.256 . . . . 0.0 110.578 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 51.01 34.13 10.18 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 122.854 0.461 . . . . 0.0 111.71 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.69 169.57 11.55 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 170.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 150.4 51.68 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 111.046 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -135.45 161.35 35.7 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.284 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 p -107.42 4.94 26.81 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -174.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.98 147.96 27.8 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.984 0.421 . . . . 0.0 110.875 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -42.55 77.37 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -63.06 -39.77 95.72 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.31 -49.42 77.11 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 37' ' ' TYR . 48.0 tp -63.49 -40.45 97.11 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -65.62 -44.16 87.36 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.494 0.318 . . . . 0.0 111.282 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -61.64 -43.32 99.07 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.65 -36.4 78.59 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.242 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -53.08 -33.53 52.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.284 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -54.94 -33.12 61.93 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 120.421 0.153 . . . . 0.0 110.626 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -62.61 -33.63 75.4 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.496 0.318 . . . . 0.0 111.658 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.514 ' HE1' ' SG ' ' A' ' 39' ' ' CYS . 8.7 m80 -82.83 -44.07 15.91 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -81.25 -22.95 38.35 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.418 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 0.55 28.73 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 121.539 -0.362 . . . . 0.0 112.305 -175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.24 127.3 30.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -124.37 87.17 54.25 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.52 -16.87 9.07 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.522 2.148 . . . . 0.0 112.972 -170.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.598 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.4 m-85 -90.0 90.39 8.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.576 0.226 . . . . 0.0 110.414 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.33 141.44 28.76 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.65 146.17 55.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -79.25 -14.95 58.71 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -75.0 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -172.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -83.4 -6.63 59.52 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.615 0.245 . . . . 0.0 111.35 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 65.05 16.09 10.37 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.738 0.415 . . . . 0.0 111.374 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -68.86 141.33 55.12 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -99.23 139.92 34.16 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.061 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -130.49 155.07 47.08 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.12 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 p -98.17 -8.95 26.53 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.627 -174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -135.21 137.02 42.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 p -61.96 -31.53 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.166 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -66.84 -36.47 82.4 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.164 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -77.04 -34.75 57.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.893 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -65.6 -47.72 74.75 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.569 0.223 . . . . 0.0 110.535 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -34.34 76.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.541 0.21 . . . . 0.0 110.539 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -66.53 -49.48 66.37 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.754 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -65.55 -29.89 70.57 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.007 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -54.33 -41.27 68.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.492 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.99 -26.69 68.37 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.114 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -65.28 -37.2 86.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.482 0.182 . . . . 0.0 110.806 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -84.76 -20.36 31.18 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.805 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.194 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 18.35 55.38 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 121.41 -0.424 . . . . 0.0 112.358 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.88 104.96 15.29 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.87 81.43 49.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.61 -20.98 4.44 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.663 2.242 . . . . 0.0 112.924 -175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -78.66 77.44 5.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.028 0.442 . . . . 0.0 110.725 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 m -80.36 146.04 31.73 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.3 t -71.75 161.25 31.26 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.146 0.498 . . . . 0.0 110.927 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.26 0.29 10.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.982 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -65.08 156.3 81.2 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 120.915 0.388 . . . . 0.0 111.006 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.02 122.95 11.96 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t 66.35 19.02 10.98 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.909 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.9 t -86.37 170.63 11.84 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.827 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -164.6 21.86 0.06 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.459 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -89.34 139.92 30.02 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 -175.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -128.55 148.57 50.77 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -134.29 159.07 42.12 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.905 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.56 -2.04 45.8 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -132.22 141.13 48.93 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.147 0.499 . . . . 0.0 110.847 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.5 p -57.26 -47.58 81.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.659 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.409 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.65 -41.44 95.0 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 173.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.9 tp -67.26 -41.07 86.17 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.922 175.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.19 -43.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.156 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.57 -46.62 87.49 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -54.49 -50.09 68.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -56.6 -39.18 73.13 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.847 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -15.59 63.24 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.518 0.199 . . . . 0.0 111.174 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.8 mtt -111.89 4.76 18.5 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.417 0.287 . . . . 0.0 110.915 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.709 0.29 . . . . 0.0 110.977 -173.162 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -136.39 158.65 43.92 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.8 t -108.65 135.82 49.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.68 59.53 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.705 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 36.5 t80 -72.71 126.7 90.58 Favored Pre-proline 0 CA--C 1.554 1.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.689 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.46 -12.17 31.12 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.722 2.281 . . . . 0.0 113.203 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.48 -5.55 61.68 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 121.442 -0.408 . . . . 0.0 112.413 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 48.9 t -89.12 175.62 7.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.164 0.506 . . . . 0.0 111.264 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -72.47 -24.15 61.14 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.44 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt 72.47 20.69 3.88 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.521 0.728 . . . . 0.0 111.34 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -139.04 141.02 38.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.105 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CD2' HD23 ' A' ' 24' ' ' LEU . 34.9 m-85 -144.96 170.1 16.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.974 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -113.36 -33.89 5.79 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.514 -175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 74.2 mmtt -112.48 131.17 55.71 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.725 0.297 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.766 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.47 -51.83 51.71 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.981 178.577 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.713 ' H ' HD22 ' A' ' 21' ' ' LEU . 20.7 p -68.11 -45.99 72.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.753 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.37 -30.11 71.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.29 -42.33 62.55 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.119 169.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -58.01 -39.01 77.26 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.637 0.256 . . . . 0.0 110.407 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -44.34 76.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 20.2 t60 -57.91 -38.65 76.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.816 0.341 . . . . 0.0 110.955 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -58.9 -34.4 71.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.05 64.06 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -56.07 -47.43 77.98 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.63 0.252 . . . . 0.0 110.92 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 33.9 m-70 -68.73 -20.93 64.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -172.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -59.05 -14.98 11.29 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 120.603 0.24 . . . . 0.0 111.108 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 6.64 54.35 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.377 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -133.21 6.65 3.88 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -109.44 86.49 4.39 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-O 120.605 0.241 . . . . 0.0 110.75 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.59 92.12 1.16 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.547 2.164 . . . . 0.0 113.188 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 54' ' ' LEU . 92.5 m-85 -68.6 172.48 6.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.43 155.65 48.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.627 0.251 . . . . 0.0 110.496 174.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.77 143.6 46.6 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -86.6 -8.51 57.43 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -68.6 122.7 19.04 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.859 0.362 . . . . 0.0 110.427 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -63.72 -9.41 14.14 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -169.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.7 7.67 12.59 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 122.163 0.185 . . . . 0.0 111.382 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 43.2 t -101.37 172.95 6.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.096 0.474 . . . . 0.0 111.006 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -153.1 28.8 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.61 161.22 14.67 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.916 0.389 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -142.64 145.51 33.55 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 61.4 m-85 -137.0 139.57 41.53 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.033 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -74.58 -19.18 60.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -174.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -129.8 152.98 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.039 0.447 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 p -62.59 -28.8 70.14 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.703 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -67.57 -42.9 81.84 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 120.703 0.287 . . . . 0.0 111.119 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.48 -44.73 90.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.361 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.6 tp -62.19 -43.74 98.16 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.826 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.48 -45.2 94.1 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.845 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -56.55 -47.5 79.34 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 t60 -60.55 -41.78 95.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -177.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -53.33 -38.71 63.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.981 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -56.87 -33.41 66.8 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.225 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -31.56 70.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.53 -43.26 18.99 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.493 0.187 . . . . 0.0 111.137 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -84.76 -5.89 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.0 10.21 67.93 Favored Glycine 0 CA--C 1.545 1.924 0 C-N-CA 121.669 -0.3 . . . . 0.0 112.981 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.54 114.05 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 120.824 0.345 . . . . 0.0 110.797 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -116.88 87.68 23.03 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.194 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -87.59 -19.26 2.32 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.646 2.231 . . . . 0.0 113.169 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.673 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.5 m-85 -82.6 98.96 9.27 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -97.99 135.0 40.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.8 132.7 50.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.381 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -69.73 -18.44 63.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 -73.53 0.56 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.93 -5.33 58.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 66.02 17.63 10.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.748 0.419 . . . . 0.0 111.489 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -72.4 146.32 47.08 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -109.64 138.74 45.56 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.099 0.476 . . . . 0.0 111.223 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.56 160.63 32.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.181 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 p -103.73 -0.73 29.02 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -138.73 139.4 38.35 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 110.712 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 p -66.41 -36.14 82.07 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.17 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -67.16 -35.24 79.27 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -68.59 -45.4 72.09 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.566 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.0 tt -63.62 -47.61 80.69 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.818 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.97 -39.5 89.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.699 0.285 . . . . 0.0 110.571 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -64.72 -49.88 69.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.65 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -63.08 -38.98 93.32 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.862 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.34 -41.66 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -68.43 -22.9 64.57 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.303 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 p -59.43 -32.39 70.16 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.334 0.111 . . . . 0.0 110.797 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -78.44 -18.7 54.55 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.564 0.221 . . . . 0.0 110.944 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.0 p -96.3 -6.25 38.26 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.485 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.92 40.72 Favored Glycine 0 CA--C 1.554 2.522 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.857 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.41 103.9 2.57 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -121.1 83.69 38.73 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -85.51 -15.8 5.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.72 2.28 . . . . 0.0 112.988 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -83.59 78.32 9.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.927 0.394 . . . . 0.0 110.741 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.8 p -78.79 138.24 38.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.765 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.6 t -70.44 133.11 46.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.41 -0.7 57.67 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.522 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -67.72 122.42 83.43 Favored Pre-proline 0 CA--C 1.557 1.221 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.08 -50.91 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.75 2.3 . . . . 0.0 112.735 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -79.99 53.53 1.72 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.906 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 104' ' ' LYS . 5.0 t -168.25 -80.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 -178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 52.99 39.61 29.71 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.43 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -74.18 168.89 18.68 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 172.135 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -128.81 142.36 51.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.717 0.294 . . . . 0.0 110.918 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.03 157.82 40.63 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.37 -1.86 43.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.271 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -134.86 142.27 46.57 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.182 0.515 . . . . 0.0 110.942 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.8 p -57.27 -46.48 83.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -66.38 -33.58 76.03 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.559 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -60.63 -44.39 96.41 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 97' ' ' CYS . 63.4 tp -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.97 174.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.24 -46.39 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.41 -46.75 88.84 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.513 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -54.74 -49.28 71.18 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.42 -37.77 73.3 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.065 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -72.23 -15.7 61.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.492 0.187 . . . . 0.0 111.124 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.1 mtp -102.01 -1.67 31.28 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.019 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.599 0.238 . . . . 0.0 111.146 -171.331 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.708 0.289 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.35 150.39 48.82 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 168.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -66.4 146.18 54.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.169 0.509 . . . . 0.0 111.304 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.91 -4.46 56.52 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.639 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -79.17 134.37 59.43 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.07 145.95 68.98 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.543 2.162 . . . . 0.0 112.204 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.42 -38.81 2.89 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.068 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 -81.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.679 0.276 . . . . 0.0 110.403 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.05 35.94 1.81 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.441 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.63 160.35 29.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 153.83 18.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.297 0.57 . . . . 0.0 111.63 -169.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -144.85 163.87 32.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.935 -175.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -115.95 -28.41 6.66 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.396 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 7.8 mmpt? -113.01 124.77 53.4 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.675 0.274 . . . . 0.0 110.666 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -49.22 43.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.902 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -67.85 -45.79 73.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.715 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.0 -31.28 72.38 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.667 0.27 . . . . 0.0 110.481 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.11 -40.76 64.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.028 170.284 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.29 -38.61 77.37 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.54 89.11 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.691 173.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -58.05 -39.33 78.16 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.288 -0.258 . . . . 0.0 110.672 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -59.24 -34.62 72.44 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.534 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -38.24 69.03 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.2 -39.24 72.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.52 0.2 . . . . 0.0 111.048 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -68.35 -21.08 64.75 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.5 p -61.29 -10.47 7.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.044 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.51 12.17 36.02 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -122.17 -50.19 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.805 0.303 . . . . 0.0 111.706 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -46.65 112.47 1.89 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 123.119 0.262 . . . . 0.0 111.572 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.89 81.91 2.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.825 2.35 . . . . 0.0 112.713 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.583 ' HB3' HD22 ' A' ' 54' ' ' LEU . 9.6 m-85 -87.63 93.07 9.32 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.52 144.4 26.06 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.747 0.308 . . . . 0.0 110.727 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 145.43 56.11 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.703 174.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -73.77 -21.49 60.17 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 13.9 m-85 -70.12 129.89 40.63 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.775 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -72.45 -12.22 61.0 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.37 -10.81 39.81 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.025 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.49 -72.95 0.58 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.745 0.307 . . . . 0.0 110.433 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 57.31 16.2 3.0 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 123.0 0.52 . . . . 0.0 111.986 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -84.87 146.28 27.38 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.06 148.24 43.82 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.46 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 43.5 m-85 -127.44 164.67 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.723 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -98.53 -7.62 27.99 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -173.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -138.98 154.35 48.27 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.942 0.401 . . . . 0.0 111.108 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.7 p -61.02 -39.94 91.68 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.139 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -68.48 -34.04 75.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.156 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.37 -45.29 66.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.515 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -60.64 -47.5 85.96 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 171.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -60.95 -41.65 96.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.105 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -60.37 -47.79 84.55 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 17.8 t60 -60.78 -40.97 94.61 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.076 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.03 -37.01 61.17 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' NH2' ' H ' ' A' ' 64' ' ' VAL . 68.2 mtp85 -55.08 -33.03 62.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -55.77 -31.7 62.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 120.478 0.18 . . . . 0.0 110.849 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 79.9 m-70 -98.03 -33.06 11.32 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.357 176.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 t -148.0 61.5 1.12 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 111.182 -169.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.35 -177.09 33.15 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.116 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.431 ' H ' ' NH2' ' A' ' 59' ' ' ARG . 26.9 m -132.19 -168.85 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 122.444 0.298 . . . . 0.0 110.542 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -114.87 83.18 9.06 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.718 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.5 -20.56 5.72 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.858 2.372 . . . . 0.0 113.115 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.551 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.5 m-85 -78.47 88.98 4.43 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -99.79 135.14 41.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.777 0.322 . . . . 0.0 111.001 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.75 131.1 45.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.473 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -69.82 -17.24 63.38 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -75.26 0.47 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.558 0.343 . . . . 0.0 111.03 -175.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.79 -5.46 55.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.223 0.209 . . . . 0.0 111.489 -173.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 68.09 20.7 8.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.849 0.459 . . . . 0.0 111.422 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.29 140.73 58.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 169.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -113.13 140.97 47.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 110.823 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -136.81 158.19 45.02 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.389 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 p -107.79 3.0 24.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -138.81 134.31 33.24 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 110.412 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -68.92 -31.83 71.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.09 -36.26 82.71 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 120.466 0.174 . . . . 0.0 110.83 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -67.98 -45.3 74.54 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.67 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -63.13 -47.69 81.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.505 0.193 . . . . 0.0 110.82 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.92 -34.42 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 0.0 110.636 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 m -67.77 -49.59 61.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.738 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -61.67 -34.06 75.07 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.871 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 m -54.27 -41.13 68.5 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -62.03 -22.77 65.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.162 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 m -54.5 -37.36 65.22 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.66 0.267 . . . . 0.0 110.878 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -89.54 -24.31 21.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.32 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -91.63 -6.42 52.25 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.4 8.8 52.86 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.694 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.01 98.14 1.25 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.977 0.389 . . . . 0.0 110.808 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -119.93 78.51 23.93 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -83.54 -14.32 8.0 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.751 2.3 . . . . 0.0 113.14 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.05 76.65 10.23 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.853 0.359 . . . . 0.0 110.652 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 48.7 p -84.18 146.0 28.07 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.859 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.39 161.35 30.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.275 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.52 1.47 10.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.182 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -67.63 156.16 89.56 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.95 125.44 17.18 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.737 2.292 . . . . 0.0 112.359 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.8 t 62.94 20.93 12.57 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.058 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -118.84 157.14 28.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.365 0.602 . . . . 0.0 111.191 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -162.17 29.95 0.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.95 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -63.91 136.2 57.16 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 29.5 mtmt -112.08 147.99 34.86 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 111.56 -169.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -134.19 160.83 36.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.537 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.92 3.15 44.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -136.11 140.87 44.03 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.119 0.485 . . . . 0.0 110.792 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 p -57.14 -49.92 74.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.503 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.21 -33.66 75.96 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.73 -43.77 97.49 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -66.23 -40.03 89.99 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.031 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.21 -44.27 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.35 -46.66 87.66 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.645 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -54.38 -49.43 69.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.656 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.82 -39.57 74.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -72.05 -15.56 62.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.506 0.193 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -107.03 5.91 28.5 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.857 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.369 0 CA-C-O 120.72 0.295 . . . . 0.0 111.074 -173.025 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 120.708 0.289 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -136.43 156.76 48.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.62 143.86 53.13 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.3 -4.82 56.89 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.78 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 63.4 t80 -79.09 118.27 71.51 Favored Pre-proline 0 N--CA 1.478 0.972 0 O-C-N 122.392 -0.192 . . . . 0.0 110.649 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.47 101.88 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.624 2.216 . . . . 0.0 111.973 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.02 -38.02 1.83 Allowed Glycine 0 N--CA 1.468 0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.61 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.7 t -85.91 -81.89 0.2 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.0 m120 50.64 31.84 6.22 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 169.44 18.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.103 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -98.64 151.92 20.18 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.72 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.5 m-85 -137.24 166.47 23.69 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.736 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.91 -41.33 2.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.212 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -94.26 118.71 31.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.501 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.79 -46.13 20.44 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.824 0.345 . . . . 0.0 110.817 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -67.9 -46.01 72.81 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.688 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.84 -29.49 70.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.565 0.222 . . . . 0.0 110.575 -178.053 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.13 -39.57 65.62 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.96 169.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -40.83 82.32 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.38 -48.22 82.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.776 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.04 -38.57 76.5 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.682 0.277 . . . . 0.0 110.823 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 p -59.01 -32.48 69.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -38.2 68.11 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.398 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.2 -45.74 79.71 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.576 0.227 . . . . 0.0 110.815 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.3 m-70 -76.26 -21.28 56.51 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -172.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 p -55.71 -24.53 35.09 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 120.498 0.19 . . . . 0.0 111.086 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 18.08 35.2 Favored Glycine 0 CA--C 1.541 1.69 0 CA-C-N 116.538 -0.301 . . . . 0.0 112.402 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -124.94 5.05 8.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.788 0.294 . . . . 0.0 111.381 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.37 107.45 23.69 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.59 137.05 22.17 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.398 2.066 . . . . 0.0 113.162 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' HB3' HD22 ' A' ' 54' ' ' LEU . 71.6 m-85 -129.25 165.12 22.03 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.51 150.15 52.2 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -63.55 143.91 57.44 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.66 -2.55 35.18 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.0 131.16 49.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.89 0.376 . . . . 0.0 110.3 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -72.0 4.17 3.7 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.204 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -132.4 12.29 4.55 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 122.167 0.187 . . . . 0.0 111.108 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 46.3 t -103.08 173.85 6.12 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.108 0.48 . . . . 0.0 110.815 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -160.49 28.91 0.16 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 152.66 25.51 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.157 0.503 . . . . 0.0 110.802 -173.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.05 148.01 49.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.751 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.2 m-85 -126.64 164.81 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.146 -173.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 t -108.97 7.25 25.82 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.453 -175.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -153.01 149.78 28.53 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.7 p -58.68 -41.21 85.65 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.99 -39.01 93.16 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -61.4 -49.32 77.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.64 0.257 . . . . 0.0 110.374 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -62.12 -45.4 93.65 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.96 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.97 -40.55 93.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.165 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -68.22 -41.2 81.61 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.563 0.22 . . . . 0.0 110.487 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 46.0 t60 -60.71 -37.78 82.84 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.916 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -53.34 -34.71 58.61 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.344 0.257 . . . . 0.0 111.334 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -55.06 -33.22 62.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.564 0.221 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -60.36 -31.9 70.78 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.584 0.354 . . . . 0.0 111.664 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -97.81 -36.45 10.19 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.604 0.24 . . . . 0.0 111.244 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -79.16 -31.3 43.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.08 -1.27 60.21 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 121.715 -0.278 . . . . 0.0 112.843 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.34 137.28 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-O 121.03 0.443 . . . . 0.0 110.958 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -131.05 81.48 66.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.344 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -79.17 -16.35 12.36 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.596 2.197 . . . . 0.0 113.279 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -90.11 97.83 11.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.51 137.25 41.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.127 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.9 t -65.01 138.7 58.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.81 -19.7 62.65 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -99.09 -75.38 0.56 Allowed 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.318 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.5 p -80.16 -7.37 58.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.492 0.317 . . . . 0.0 111.359 -175.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 64.25 21.25 12.47 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.406 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -71.97 141.14 49.4 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.1 142.18 40.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.061 0.458 . . . . 0.0 111.182 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.02 163.53 29.03 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 m -109.13 1.9 20.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.64 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -138.83 132.9 31.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.833 0.349 . . . . 0.0 110.617 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 p -63.34 -34.0 76.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.54 -38.38 90.92 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 120.652 0.263 . . . . 0.0 111.023 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -74.97 -35.3 62.07 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.992 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -65.46 -47.68 75.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -61.1 -38.93 88.04 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.764 0.316 . . . . 0.0 110.469 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.2 m -64.08 -49.46 72.18 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -61.41 -36.73 81.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.92 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -54.36 -41.24 68.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.753 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.69 -22.94 67.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -60.21 -27.07 66.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.574 0.226 . . . . 0.0 110.729 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -93.53 -26.21 17.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.211 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -91.68 -6.35 52.22 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.19 10.49 41.33 Favored Glycine 0 CA--C 1.549 2.173 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.518 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.76 100.14 1.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.005 0.431 . . . . 0.0 110.799 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.29 82.41 45.69 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.503 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -84.78 -15.51 5.87 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.734 2.29 . . . . 0.0 113.003 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -85.98 79.62 9.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -83.75 143.73 29.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.6 t -70.35 157.71 37.27 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.087 169.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -135.54 16.18 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.189 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -56.78 153.22 23.17 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.531 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.48 22.67 0.23 Allowed 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 122.934 2.422 . . . . 0.0 113.179 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -163.22 27.73 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.707 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.2 t -143.26 164.64 29.66 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.239 0.542 . . . . 0.0 111.608 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.64 27.42 0.1 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.019 170.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -73.69 154.83 39.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.165 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.54 148.22 50.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.032 0.444 . . . . 0.0 111.56 -170.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -133.41 159.09 41.36 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.583 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.3 2.14 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -135.49 141.59 45.33 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.155 0.502 . . . . 0.0 110.917 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -57.42 -49.77 75.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.625 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.7 -33.68 76.18 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.518 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.6 -43.92 96.86 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.06 -39.64 90.25 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.039 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.18 -46.43 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 120.738 0.304 . . . . 0.0 110.193 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.64 -46.47 88.08 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.661 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -55.8 -48.0 76.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -56.66 -33.73 66.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.535 0.207 . . . . 0.0 110.685 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -17.53 63.27 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.329 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.41 -19.48 59.49 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.501 0.191 . . . . 0.0 110.932 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.345 0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 110.455 178.106 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 92.7 m-85 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.678 0.275 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.51 154.97 50.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 48.9 t -65.67 142.29 58.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.896 0.379 . . . . 0.0 111.192 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.94 4.16 47.28 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.725 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -69.01 123.8 88.96 Favored Pre-proline 0 CA--C 1.546 0.801 0 O-C-N 122.451 -0.155 . . . . 0.0 110.795 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.44 99.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.407 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.85 -30.98 4.25 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.035 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 34.8 t -81.06 171.27 15.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.31 0.576 . . . . 0.0 110.815 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 23.68 0.05 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.275 175.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -74.89 139.03 42.84 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -175.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -98.78 152.51 19.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.767 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 89.5 m-85 -142.04 167.75 21.37 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 -174.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -116.68 -42.46 2.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.794 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 58.7 mttt -90.38 119.88 31.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.504 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 40.5 tp -47.34 -43.93 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 172.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 p -68.09 -46.27 71.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.295 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.21 -29.28 67.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.262 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.28 -38.94 65.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 169.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -58.02 -39.99 79.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 174.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -46.84 85.96 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -58.06 -39.05 77.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 120.722 0.296 . . . . 0.0 110.436 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p -59.25 -34.7 72.54 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -55.76 -38.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -39.82 73.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.607 0.241 . . . . 0.0 110.469 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -81.22 -22.59 38.68 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.825 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -61.69 -22.5 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.437 0.161 . . . . 0.0 110.611 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.23 18.53 38.95 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.281 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.18 -41.32 3.52 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.716 0.258 . . . . 0.0 111.325 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -43.45 106.7 0.51 Allowed Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.907 0.483 . . . . 0.0 111.568 -173.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.43 95.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.766 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.428 ' HB3' HD22 ' A' ' 54' ' ' LEU . 77.1 m-85 -88.99 172.26 9.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 170.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -129.37 152.87 48.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.0 170.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.7 136.24 17.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.71 -9.96 59.06 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.246 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.67 117.61 12.41 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.815 0.341 . . . . 0.0 110.297 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -60.32 -15.15 22.75 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -170.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -109.21 9.52 25.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 122.168 0.187 . . . . 0.0 111.353 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.432 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 45.8 t -108.07 156.69 18.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.15 0.5 . . . . 0.0 111.005 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -132.33 19.89 4.39 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.839 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -82.63 135.55 35.02 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.739 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -119.23 145.02 46.41 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.786 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.3 m-85 -130.68 139.4 50.32 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.394 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -89.82 3.14 53.84 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -144.92 143.27 30.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.128 0.49 . . . . 0.0 110.998 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -40.98 82.39 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.309 -175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -33.94 73.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -41.47 81.71 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.567 0.222 . . . . 0.0 110.525 176.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 37' ' ' TYR . 17.1 tp -60.98 -47.52 86.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 171.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -60.42 -33.6 72.75 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.065 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.62 -44.42 70.7 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.552 172.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.66 -36.63 79.18 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.948 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -53.02 -38.2 62.17 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -55.31 -33.33 63.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.426 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -31.8 73.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 120.385 0.136 . . . . 0.0 111.341 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -92.8 -34.74 13.75 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.634 0.254 . . . . 0.0 111.108 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -83.1 -28.61 29.36 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.318 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.01 -5.38 41.26 Favored Glycine 0 CA--C 1.545 1.967 0 C-N-CA 121.719 -0.277 . . . . 0.0 113.056 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.43 143.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-O 121.153 0.501 . . . . 0.0 111.011 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -134.33 79.78 54.12 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.292 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.77 -21.37 11.22 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.714 2.276 . . . . 0.0 113.395 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.6 m-85 -82.51 97.12 8.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -97.21 136.78 37.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.689 0.28 . . . . 0.0 111.065 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.77 136.15 56.59 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -67.32 -22.65 65.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.34 -76.12 0.53 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.284 -169.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 -5.36 59.2 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.511 0.196 . . . . 0.0 111.323 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 64.62 23.65 12.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.724 0.41 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -64.68 164.49 11.93 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -130.0 135.88 48.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 111.05 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -130.29 162.54 28.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.372 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 m -108.82 6.1 25.18 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -140.33 130.35 24.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.754 0.312 . . . . 0.0 110.463 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.6 p -67.44 -32.18 72.86 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.51 -35.93 81.47 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.874 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.11 -44.06 73.21 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.669 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.3 tt -65.08 -47.63 76.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.431 0.158 . . . . 0.0 110.827 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -63.73 -34.47 77.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.626 0.25 . . . . 0.0 110.568 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.6 m -65.73 -49.47 68.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.702 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -62.26 -34.35 76.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.949 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.7 m -55.4 -41.3 72.51 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.776 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -65.52 -23.12 66.8 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.279 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -69.07 -30.88 69.3 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 120.448 0.166 . . . . 0.0 110.875 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -88.2 -22.72 23.86 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.669 0.271 . . . . 0.0 110.772 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 m -91.8 -6.0 52.49 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 -175.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.23 13.02 52.73 Favored Glycine 0 CA--C 1.545 1.92 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.39 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.27 98.07 5.04 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.949 0.404 . . . . 0.0 110.702 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.53 82.56 33.09 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -85.78 -19.36 3.4 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 122.784 2.323 . . . . 0.0 112.963 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.45 78.79 5.95 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 110.804 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 m -82.82 145.24 29.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.409 ' HA ' HD11 ' A' ' 112' ' ' LEU . 36.8 t -70.4 144.22 51.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -111.43 5.25 19.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.145 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -59.04 146.75 76.46 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.564 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.54 48.15 2.06 Favored 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 123.019 2.479 . . . . 0.0 112.671 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -176.35 -22.65 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 22.4 t -86.06 171.88 11.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.475 0.655 . . . . 0.0 111.544 -173.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -162.02 26.74 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.133 175.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 151.52 35.59 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -128.62 147.92 50.76 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.846 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -133.08 159.57 39.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.722 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.89 0.65 46.99 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -136.88 139.62 41.76 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.76 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -58.29 -43.22 87.96 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.31 -33.77 75.98 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.487 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.76 -43.27 98.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.0 tp -65.3 -40.43 93.8 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.94 174.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.24 -44.71 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.25 -46.7 87.65 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.626 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -54.39 -49.32 70.16 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.66 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -57.61 -38.85 75.63 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.135 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -71.76 -15.6 62.18 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -106.94 4.78 27.61 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.345 0.392 0 CA-C-O 120.69 0.281 . . . . 0.0 110.956 -173.005 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.407 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 28.9 ptm -136.62 158.62 44.01 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.34 169.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 t -76.89 139.53 40.27 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.68 -1.95 57.85 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.761 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.37 128.77 81.71 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.15 -18.66 51.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.723 2.282 . . . . 0.0 113.22 -172.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.06 -2.65 85.83 Favored Glycine 0 CA--C 1.544 1.891 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.318 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.8 t -121.24 -78.23 0.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.511 0.325 . . . . 0.0 110.628 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.15 20.56 8.56 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.183 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.38 171.43 14.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 120.6 0.238 . . . . 0.0 110.529 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 19.7 mmm180 -106.46 156.68 18.3 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.168 0.509 . . . . 0.0 111.578 -170.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 53.6 m-85 -143.94 167.82 21.43 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.255 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.71 -44.85 3.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 76.5 tttt -97.23 122.18 39.96 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.581 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.2 tp -46.49 -47.03 19.4 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.658 0.265 . . . . 0.0 110.605 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -68.03 -45.94 72.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.874 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.91 -29.93 69.94 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.312 -177.597 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.21 -39.18 65.74 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 169.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -42.25 84.93 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.72 -43.63 95.95 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.785 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.03 -35.71 71.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.516 0.198 . . . . 0.0 110.761 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -59.12 -35.01 72.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.764 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -55.72 -38.17 69.38 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.628 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -44.42 79.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.626 0.251 . . . . 0.0 110.679 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -72.57 -21.27 61.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -172.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -53.55 -41.64 66.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 49' ' ' SER . . . -55.72 -30.77 57.05 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.477 174.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -98.76 18.53 16.74 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.818 0.447 . . . . 0.0 111.506 -173.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -112.96 83.29 5.88 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-O 120.638 0.256 . . . . 0.0 110.487 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.63 88.82 1.26 Allowed 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.772 2.315 . . . . 0.0 112.799 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.656 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 -75.26 100.58 4.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.414 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 2.4 tt0 -88.01 144.86 26.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.61 148.38 42.62 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.923 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -102.94 -1.13 29.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.102 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -57.82 142.12 46.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.002 0.429 . . . . 0.0 110.717 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -12.08 43.02 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.074 -169.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -133.96 35.39 3.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.647 0.26 . . . . 0.0 111.029 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.39 164.62 26.72 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.166 0.508 . . . . 0.0 111.025 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -155.37 19.64 0.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.555 175.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.84 139.29 40.26 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -125.25 134.75 52.19 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -178.63 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -118.57 139.38 51.56 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.443 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 64.7 m -83.88 42.81 0.88 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.42 144.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 120.948 0.404 . . . . 0.0 110.667 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -60.28 -44.57 95.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.965 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.44 -33.98 77.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.214 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.65 -42.93 77.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -61.97 -45.02 95.5 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.549 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.89 -36.9 84.86 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.522 0.201 . . . . 0.0 111.106 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -64.21 -45.93 86.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.815 0.34 . . . . 0.0 110.149 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -60.76 -36.95 80.23 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.374 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.27 -33.72 54.28 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.177 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 12.5 mmp_? -55.06 -33.16 62.49 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.395 0.141 . . . . 0.0 110.777 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.67 -38.79 86.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.437 0.295 . . . . 0.0 111.368 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.12 -35.53 14.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.608 0.242 . . . . 0.0 111.169 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -78.39 -23.41 46.81 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.082 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.39 0.08 61.33 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 121.577 -0.344 . . . . 0.0 112.466 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 69.9 t -72.41 121.07 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.576 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.94 88.38 50.69 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.13 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.42 -18.17 7.2 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.537 2.158 . . . . 0.0 113.17 -170.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.541 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.0 m-85 -84.93 92.55 8.33 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.18 134.04 34.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.689 0.28 . . . . 0.0 110.833 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.8 t -64.79 129.6 40.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 171.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.38 -20.26 63.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -72.64 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.1 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.37 -2.61 57.98 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -173.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 64.21 22.02 12.72 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.654 0.381 . . . . 0.0 111.419 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -65.66 163.44 16.38 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 170.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.6 135.19 53.82 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.852 0.358 . . . . 0.0 110.591 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.22 159.33 36.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.4 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 p -103.26 -3.24 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.344 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -138.09 132.09 31.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p -63.5 -35.21 79.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.82 -35.21 80.04 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.039 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -70.2 -42.98 71.63 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -65.36 -47.69 75.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.436 0.16 . . . . 0.0 110.715 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.657 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -65.18 -49.42 69.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.644 0.259 . . . . 0.0 110.665 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.33 -33.64 75.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -55.35 -41.34 72.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -64.98 -23.13 67.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.278 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 p -68.69 -32.6 72.53 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 120.417 0.151 . . . . 0.0 110.789 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -85.14 -24.2 28.09 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 120.645 0.26 . . . . 0.0 110.657 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 m -91.76 -6.19 52.27 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.169 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.56 14.95 52.14 Favored Glycine 0 CA--C 1.547 2.037 0 C-N-CA 121.527 -0.368 . . . . 0.0 112.492 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -78.84 101.02 7.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.895 0.379 . . . . 0.0 110.685 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -122.02 81.84 43.44 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.03 -15.56 5.55 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.73 2.287 . . . . 0.0 113.1 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.44 78.53 9.8 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.9 t -78.88 146.05 33.81 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 t -70.44 161.2 30.97 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.065 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.67 3.74 5.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.899 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -62.73 145.95 95.1 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.3 13.24 0.55 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.918 2.412 . . . . 0.0 113.128 -174.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -143.55 17.8 1.85 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.022 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.62 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 17.0 t -130.66 171.84 12.62 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.309 0.575 . . . . 0.0 111.391 -175.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -167.09 26.58 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.271 179.222 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.62 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.6 mppt? -88.01 156.02 19.52 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.8 0.333 . . . . 0.0 110.626 -176.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -128.57 147.96 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -131.99 159.01 39.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.763 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.39 -0.65 45.95 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.1 141.98 46.15 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 110.808 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.0 p -57.27 -49.36 76.31 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.606 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.43 -33.6 75.9 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.421 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.73 -43.83 97.41 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 173.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.76 -41.25 92.33 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.978 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.3 t -58.23 -47.31 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -62.01 -46.72 87.98 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.675 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.37 -47.58 81.28 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.957 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -56.82 -33.71 67.0 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.546 0.212 . . . . 0.0 110.842 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -15.79 63.64 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.216 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 80.5 mtp -84.01 -16.16 44.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.015 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.347 0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 176.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 C--O 1.214 -0.764 0 CA-C-O 120.633 0.254 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 ptm -136.57 155.69 49.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 24' ' ' LEU . 48.4 t -61.76 125.96 25.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 111.011 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.84 9.13 36.62 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.54 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 76.0 t80 -67.13 135.76 93.85 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 175.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.76 88.86 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.418 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -31.26 2.43 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.856 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.2 t -78.32 177.66 8.28 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.274 0.559 . . . . 0.0 110.952 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -171.41 16.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.434 -178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 145.77 37.72 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.63 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' H ' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.72 152.0 20.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.277 0.56 . . . . 0.0 111.364 -173.047 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.655 ' CD2' HD23 ' A' ' 24' ' ' LEU . 93.5 m-85 -144.81 162.3 37.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.976 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -121.11 -22.32 6.14 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.4 mppt? -115.76 115.61 26.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.377 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 tp -45.75 -43.83 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 120.787 0.327 . . . . 0.0 111.018 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -68.09 -45.87 72.56 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.24 -29.43 70.22 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.74 0.305 . . . . 0.0 110.428 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.655 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.25 -38.35 66.01 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 170.001 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.27 -38.6 80.52 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -49.31 78.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.623 173.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 120.689 0.28 . . . . 0.0 110.64 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -59.45 -35.3 73.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -38.6 70.79 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.763 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -57.02 -41.63 78.92 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.532 0.206 . . . . 0.0 110.707 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 13.6 m-70 -64.15 -21.12 66.43 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -173.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -52.16 -25.27 8.62 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.47 3.96 37.25 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.625 -0.321 . . . . 0.0 112.935 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.32 -43.14 34.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.138 0.469 . . . . 0.0 110.647 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -149.33 84.07 6.3 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.272 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.33 153.47 74.2 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.369 2.046 . . . . 0.0 112.141 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -74.45 175.35 7.82 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.499 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.4 157.87 43.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 170.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.49 131.76 24.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.94 -4.66 53.38 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -67.81 -22.23 65.18 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.134 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 70.63 -44.61 0.58 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 123.976 0.91 . . . . 0.0 111.671 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.75 -18.49 65.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.9 150.11 28.17 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.676 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 20.83 4.33 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.914 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -66.91 140.68 57.78 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.037 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -107.6 147.25 30.86 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 111.131 -172.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.6 m-85 -134.61 139.24 45.19 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.74 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p -85.54 -5.88 59.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.623 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -138.13 141.31 40.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.936 0.398 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -58.6 -37.72 76.45 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.039 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.51 -33.9 74.95 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.325 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -70.13 -35.24 73.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.5 0.19 . . . . 0.0 110.569 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.0 tp -67.91 -43.64 78.77 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.588 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -62.01 -39.77 93.4 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.702 0.287 . . . . 0.0 110.834 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -62.01 -47.44 84.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.257 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.3 t60 -60.77 -39.61 89.45 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -53.09 -38.43 62.55 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.543 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.44 63.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.112 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -55.83 -45.6 78.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.085 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -77.78 -24.25 48.96 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.185 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.0 p -74.93 -29.62 61.01 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.929 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.54 -7.95 29.67 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 116.531 -0.304 . . . . 0.0 112.503 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.82 137.31 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.958 0.409 . . . . 0.0 110.679 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.76 85.97 58.26 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.02 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.06 -20.03 10.35 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.74 2.293 . . . . 0.0 113.341 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.2 m-85 -79.4 82.69 5.51 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.763 0.316 . . . . 0.0 110.401 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.19 127.72 36.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.202 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 42.3 t -68.8 131.53 45.3 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.45 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -77.17 -13.49 59.94 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.269 176.546 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.14 -70.54 0.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.314 0.246 . . . . 0.0 110.873 -174.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.84 0.38 57.48 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.388 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 61.13 29.71 19.0 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.526 0.33 . . . . 0.0 110.975 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.511 ' NH1' ' H ' ' A' ' 75' ' ' LYS . 8.0 mmm180 -75.49 161.31 29.31 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.313 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.511 ' H ' ' NH1' ' A' ' 74' ' ' ARG . 62.4 mttp -133.54 128.16 34.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.706 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -121.98 162.35 21.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.7 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 p -107.15 -4.29 19.0 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -137.72 134.62 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.82 0.343 . . . . 0.0 110.594 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 p -63.77 -32.49 74.01 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -63.8 -34.98 79.12 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 120.679 0.276 . . . . 0.0 111.039 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -77.21 -37.94 52.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.852 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -63.44 -47.61 81.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.628 176.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.63 -36.9 85.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.57 0.224 . . . . 0.0 110.671 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.4 m -64.62 -49.75 69.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.644 0.259 . . . . 0.0 110.505 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -63.66 -32.81 74.41 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.986 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 56.6 m -54.34 -40.83 68.42 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.545 0.338 . . . . 0.0 110.774 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -62.0 -22.57 65.8 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.066 -177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -38.85 66.52 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 120.667 0.27 . . . . 0.0 110.768 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.46 -27.69 29.31 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.226 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 p -91.71 -6.28 52.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.6 40.83 Favored Glycine 0 CA--C 1.549 2.209 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.569 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -70.47 100.27 1.75 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -120.61 84.47 36.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.9 -14.84 5.05 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.743 2.295 . . . . 0.0 112.992 -174.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.12 77.88 9.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.7 t -78.77 146.06 34.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.794 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.29 161.23 30.75 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 170.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.65 3.93 6.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.802 -176.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -62.33 148.74 89.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.56 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.69 22.54 0.29 Allowed 'Trans proline' 0 CA--C 1.55 1.319 0 C-N-CA 122.956 2.437 . . . . 0.0 113.083 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.7 t -154.68 19.27 0.46 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.106 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.32 151.67 42.19 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 121.157 0.503 . . . . 0.0 111.613 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -144.36 24.92 1.56 Allowed 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.932 170.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 36.7 mtmm -74.28 145.8 43.72 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.216 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -128.44 134.01 48.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.314 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.37 165.13 12.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.648 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.35 3.11 40.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -136.24 141.12 43.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.198 0.523 . . . . 0.0 110.704 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 p -57.13 -50.28 73.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.511 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.17 -33.6 75.83 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.68 -43.66 97.46 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.8 -40.43 91.9 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.944 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.17 -46.31 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.07 -46.6 89.98 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.712 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.44 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 45.0 t60 -54.39 -49.57 69.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.796 -0.184 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -56.67 -39.68 74.2 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.787 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -15.83 63.61 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.569 0.224 . . . . 0.0 111.199 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 mtt -114.75 13.08 17.2 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.774 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.372 0 CA-C-O 120.723 0.297 . . . . 0.0 110.923 -174.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 110.199 -0.296 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.1 mtp -136.24 158.69 43.83 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.771 0.32 . . . . 0.0 110.321 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 t -72.48 142.76 48.57 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.998 173.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.06 -1.67 58.14 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.771 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -80.88 123.5 82.2 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 122.362 -0.211 . . . . 0.0 110.569 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.21 -25.89 58.02 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.884 2.389 . . . . 0.0 113.593 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.2 -5.8 79.47 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.496 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 37.1 t -114.42 -77.97 0.58 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 122.494 0.318 . . . . 0.0 110.465 -177.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 57.82 19.47 5.71 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -79.33 164.45 24.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 120.62 0.248 . . . . 0.0 110.362 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.71 155.98 17.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.263 0.554 . . . . 0.0 111.969 -169.757 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 24' ' ' LEU . 67.3 m-85 -142.01 170.1 16.35 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.776 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -117.06 -46.26 2.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.571 0.224 . . . . 0.0 111.23 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 27.7 mtmm -91.79 116.41 28.88 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.477 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -48.25 -43.15 32.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.135 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 p -68.05 -46.04 72.22 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.736 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.32 -30.43 71.48 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.617 0.246 . . . . 0.0 110.395 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.16 -39.77 65.39 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 170.244 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -58.16 -41.13 83.13 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -48.15 82.24 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.745 173.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.98 -41.04 82.13 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.712 0.291 . . . . 0.0 110.812 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -59.01 -34.57 72.03 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -38.38 68.65 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -56.33 -45.4 80.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 17.5 m170 -71.74 -20.96 61.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.8 p -52.36 -20.38 2.74 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.21 17.94 16.43 Favored Glycine 0 CA--C 1.551 2.311 0 C-N-CA 121.691 -0.29 . . . . 0.0 112.555 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.41 1.86 14.51 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.868 0.334 . . . . 0.0 111.475 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -118.64 100.15 51.22 Favored Pre-proline 0 N--CA 1.476 0.835 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.12 162.73 25.78 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.574 2.183 . . . . 0.0 113.216 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -133.77 178.56 6.85 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.439 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -131.41 152.75 50.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.752 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.0 t -50.16 131.03 23.45 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.012 0.434 . . . . 0.0 111.051 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.61 0.77 25.07 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.324 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.59 -12.06 59.53 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 122.252 0.221 . . . . 0.0 111.179 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 73.21 -51.18 0.71 Allowed 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 123.496 0.718 . . . . 0.0 111.48 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -77.79 -2.51 36.75 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.008 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 31.5 t -100.77 148.37 24.99 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.121 0.486 . . . . 0.0 110.884 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -121.24 23.99 10.23 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.943 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -87.57 133.57 33.77 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.71 147.1 40.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.499 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -130.76 139.31 50.23 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.522 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 p -84.65 -7.05 59.37 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -141.32 151.72 43.83 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.993 0.425 . . . . 0.0 110.97 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -42.52 87.03 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.685 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.98 -39.44 92.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.094 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.5 -46.93 87.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.79 -45.01 96.04 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -60.58 -44.9 95.7 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.085 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.43 -46.6 83.37 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 173.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.85 -36.89 80.3 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.376 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -53.45 -38.15 63.29 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.444 0.164 . . . . 0.0 110.892 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HE ' ' CG2' ' A' ' 64' ' ' VAL . 13.6 mmp_? -55.46 -33.31 63.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.445 0.164 . . . . 0.0 111.081 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -64.07 -31.76 73.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.346 0.258 . . . . 0.0 111.439 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -94.34 -36.57 11.89 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 120.661 0.267 . . . . 0.0 111.078 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -78.37 -23.58 46.82 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.076 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.65 -7.3 41.59 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 121.718 -0.277 . . . . 0.0 112.945 173.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' CG2' ' HE ' ' A' ' 59' ' ' ARG . 34.9 m -69.04 138.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.991 0.425 . . . . 0.0 110.817 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -128.9 84.2 63.85 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.1 -19.19 10.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.706 2.271 . . . . 0.0 113.265 -170.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.3 m-85 -84.49 95.1 8.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 120.581 0.229 . . . . 0.0 110.432 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -98.89 135.18 40.69 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.727 0.299 . . . . 0.0 111.032 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.8 t -65.08 146.92 54.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 169.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -90.72 -9.16 47.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -70.57 0.71 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.6 0.36 . . . . 0.0 110.78 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.7 -7.79 58.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.599 0.237 . . . . 0.0 111.306 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 65.47 18.48 11.31 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.826 0.451 . . . . 0.0 111.378 -178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -74.71 158.0 34.31 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.58 141.84 48.91 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.06 160.33 37.5 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.215 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -104.94 -3.62 23.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -135.7 130.1 33.71 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.82 0.343 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -60.31 -33.71 72.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.266 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.99 -35.04 79.49 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.21 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -76.52 -34.24 58.57 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.788 -0.187 . . . . 0.0 110.903 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.4 tt -67.41 -47.72 69.42 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.512 0.196 . . . . 0.0 110.558 176.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.89 -34.43 77.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.0 m -67.3 -49.45 64.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.708 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.45 -30.6 71.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.019 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.5 m -54.32 -40.98 68.48 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.591 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -62.2 -25.24 67.68 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.473 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -65.17 -29.11 69.92 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.463 0.173 . . . . 0.0 110.845 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -92.61 -26.63 17.77 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.762 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 m -91.8 -6.27 52.04 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.55 -172.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.98 13.21 47.03 Favored Glycine 0 CA--C 1.55 2.22 0 C-N-CA 121.338 -0.458 . . . . 0.0 112.406 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.33 96.15 2.79 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -119.68 80.54 23.96 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -82.4 -20.8 5.69 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.76 2.307 . . . . 0.0 112.874 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.9 m-85 -79.14 76.92 5.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.006 0.431 . . . . 0.0 110.615 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 m -82.35 142.41 32.05 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.618 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.411 ' HA ' HD11 ' A' ' 112' ' ' LEU . 29.4 t -70.45 151.42 45.16 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.079 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.476 ' HE ' ' CE1' ' A' ' 116' ' ' HIS . 2.3 ppt_? -105.62 -1.99 23.99 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.319 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.57 151.43 97.17 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-O 120.657 0.265 . . . . 0.0 110.415 177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 129.38 22.11 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.512 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 p 63.73 14.36 8.16 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.129 0.572 . . . . 0.0 112.033 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.5 t -97.86 -83.41 0.4 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 120.684 0.278 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 56.59 30.98 18.28 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 122.938 0.495 . . . . 0.0 111.39 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 137.87 58.29 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 169.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -111.15 140.27 45.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 111.2 -170.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.33 159.53 36.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.805 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.58 -1.04 41.93 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.193 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -135.06 141.77 46.18 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 110.827 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 7.8 p -57.2 -48.07 79.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.72 -33.57 76.28 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.72 -43.24 98.11 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.5 tp -66.66 -39.56 88.24 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.991 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.26 -45.53 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.38 -46.57 89.62 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.665 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.45 -49.34 70.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.781 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.476 ' CE1' ' HE ' ' A' ' 98' ' ' ARG . 66.3 m170 -58.11 -37.26 74.2 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.893 175.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -16.89 63.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.483 0.182 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.4 mtp -107.62 3.66 25.04 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.018 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.345 0.388 0 CA-C-O 120.728 0.299 . . . . 0.0 111.094 -172.729 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 120.721 0.295 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 1.4 pmm? -136.25 158.66 43.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.173 169.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 43.0 t -81.61 131.47 35.27 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.733 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.12 -7.36 58.87 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.781 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 60.0 t80 -70.79 127.23 92.03 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 120.463 0.173 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.03 -14.59 35.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.727 2.285 . . . . 0.0 113.334 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.91 -2.59 71.57 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.156 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 7.9 t -120.16 -67.35 0.99 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.501 0.32 . . . . 0.0 110.776 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.13 36.76 1.59 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.004 0.522 . . . . 0.0 111.693 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.5 -172.35 3.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.784 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 61.8 mmt-85 -119.19 154.75 32.84 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 111.457 -174.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.653 ' CD2' HD23 ' A' ' 24' ' ' LEU . 70.7 m-85 -141.68 170.06 16.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.965 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.13 -9.71 6.49 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 42.9 mmtm -132.76 114.84 14.61 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -46.66 -42.23 16.07 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 120.674 0.273 . . . . 0.0 110.85 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -68.3 -46.12 71.18 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.12 -29.3 68.19 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.19 -34.3 65.9 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 169.844 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.5 88.0 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 171.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -49.84 75.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.19 -39.02 77.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 120.669 0.271 . . . . 0.0 111.144 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -59.1 -34.87 72.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.323 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -55.56 -38.12 68.91 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.18 -45.46 79.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.496 0.188 . . . . 0.0 110.579 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -71.52 -21.49 61.91 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -172.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.97 -29.71 63.47 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.535 0.207 . . . . 0.0 110.885 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.84 -0.59 60.32 Favored Glycine 0 CA--C 1.543 1.821 0 C-N-CA 121.58 -0.343 . . . . 0.0 112.531 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.04 -45.79 8.13 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.788 0.294 . . . . 0.0 110.687 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.36 86.6 8.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.253 172.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.77 167.42 25.81 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 112.493 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.3 m-85 -71.56 172.19 10.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.279 170.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -132.42 151.79 51.74 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.06 129.79 24.62 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.075 0.464 . . . . 0.0 111.375 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.3 -8.79 57.36 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.21 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.23 -17.46 64.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.317 0.247 . . . . 0.0 111.224 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER 71.7 -48.5 0.68 Allowed 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 123.666 0.787 . . . . 0.0 111.901 175.511 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -73.17 -14.09 61.29 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.658 0.266 . . . . 0.0 110.733 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.4 t -88.32 161.33 17.2 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.336 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.32 22.96 4.42 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.98 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -94.72 145.87 24.56 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -121.66 147.18 46.2 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.3 m-85 -132.12 139.33 48.42 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.613 -176.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p -72.25 -31.45 65.8 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.409 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -122.42 156.34 34.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.324 0.583 . . . . 0.0 111.404 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.21 77.63 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.045 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -69.37 -34.79 75.07 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.418 0.152 . . . . 0.0 111.3 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.41 -43.35 86.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.4 tp -63.34 -44.47 94.77 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.72 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.89 -41.15 97.54 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.848 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -58.7 -47.37 84.79 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.2 t60 -60.77 -39.62 89.48 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.187 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -53.41 -38.11 63.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.967 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.14 -33.39 62.86 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 122.476 -0.14 . . . . 0.0 110.987 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.36 -37.03 85.69 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.251 0.22 . . . . 0.0 111.299 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -87.0 -35.09 18.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.661 0.267 . . . . 0.0 111.061 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.2 p -82.12 -26.41 33.58 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.1 11.91 84.62 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 121.568 -0.349 . . . . 0.0 112.369 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.1 t -76.17 114.63 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.08 86.48 46.88 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.96 7.41 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.688 2.259 . . . . 0.0 113.029 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.591 ' HB3' HD13 ' A' ' 82' ' ' LEU . 87.0 m-85 -86.35 92.67 8.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -101.71 134.97 44.02 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.773 0.32 . . . . 0.0 110.722 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.78 132.46 49.63 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -23.88 67.49 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.026 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -74.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.137 -172.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -88.88 -5.05 58.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.236 0.214 . . . . 0.0 111.418 -173.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 64.84 20.58 12.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.765 0.426 . . . . 0.0 111.483 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -65.65 139.1 58.38 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -112.4 135.29 53.27 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.894 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -131.57 159.7 37.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.513 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -106.73 9.24 31.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.942 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -140.35 126.66 19.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.1 p -66.53 -33.56 75.96 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.64 -38.38 90.04 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.754 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -68.4 -44.94 73.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.938 174.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.8 tt -65.06 -47.27 77.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.512 0.196 . . . . 0.0 110.913 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -62.86 -35.32 79.6 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.573 0.225 . . . . 0.0 110.782 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.2 m -66.76 -49.59 65.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.824 0.345 . . . . 0.0 110.633 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.48 -32.87 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.971 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -54.25 -40.92 68.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -62.23 -23.11 66.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.7 p -62.54 -26.5 68.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.565 0.221 . . . . 0.0 110.814 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -93.06 -29.29 15.87 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -91.79 -6.32 51.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.04 14.42 61.24 Favored Glycine 0 CA--C 1.548 2.151 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.71 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -73.09 100.68 3.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 80.56 10.23 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.308 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.32 -15.04 9.11 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.651 2.234 . . . . 0.0 113.163 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -85.32 76.16 10.16 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 p -83.8 142.69 30.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.962 0.41 . . . . 0.0 110.863 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.23 147.96 49.15 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -176.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.46 -4.38 24.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -63.42 149.79 91.09 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-O 120.606 0.241 . . . . 0.0 110.483 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.83 20.41 0.53 Allowed 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 122.756 2.304 . . . . 0.0 113.451 -170.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.7 p -172.84 64.55 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.641 0.258 . . . . 0.0 110.738 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 36.4 t -161.98 -82.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.681 0.276 . . . . 0.0 111.15 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.31 25.16 14.62 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.983 0.513 . . . . 0.0 111.713 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 146.36 54.58 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 169.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -121.2 131.43 54.23 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.354 -169.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -120.26 164.04 16.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.825 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.64 -3.12 31.01 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -134.64 146.02 49.15 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.148 0.499 . . . . 0.0 110.714 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.629 ' O ' HG13 ' A' ' 113' ' ' VAL . 6.3 p -57.75 -50.26 73.82 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.506 178.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -62.14 -33.56 74.72 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.57 -43.35 97.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.77 -40.61 84.02 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.204 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 109' ' ' SER . 17.1 m -61.59 -41.52 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.635 0.255 . . . . 0.0 110.646 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -66.14 -46.61 76.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.635 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.93 -45.9 74.88 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.953 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -57.14 -33.59 67.55 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.669 -0.242 . . . . 0.0 110.946 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -18.0 65.14 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.065 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.5 mtt -79.42 -18.27 52.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.476 0.179 . . . . 0.0 110.976 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.346 0.455 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 177.192 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 84.8 m-85 . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 120.591 0.234 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mtp -136.38 150.02 48.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 168.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.82 129.44 39.95 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.993 0.425 . . . . 0.0 110.942 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.84 -9.27 58.48 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.785 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -70.01 128.23 91.82 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 120.535 0.207 . . . . 0.0 110.463 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.73 -16.29 41.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.664 2.243 . . . . 0.0 113.224 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.99 -9.21 66.07 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.196 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 41.6 t -110.33 -75.89 0.62 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 122.325 0.25 . . . . 0.0 111.0 -174.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.91 29.95 1.82 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.065 0.546 . . . . 0.0 111.873 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 mppt? -84.37 167.38 16.57 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 171.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 151.52 20.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.092 0.473 . . . . 0.0 111.606 -171.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.604 ' CD2' HD23 ' A' ' 24' ' ' LEU . 75.9 m-85 -134.26 162.0 33.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.734 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -115.99 -14.09 11.24 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.318 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 88.6 mttt -132.03 113.9 13.93 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 122.402 0.281 . . . . 0.0 110.574 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 55.5 tp -45.3 -42.37 9.69 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 120.716 0.293 . . . . 0.0 111.111 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.12 -45.93 72.29 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.678 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.07 -29.24 68.96 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.19 -35.1 66.32 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 169.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -39.97 80.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.9 mmt -63.34 -49.8 72.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -58.03 -34.49 70.12 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.733 0.301 . . . . 0.0 111.06 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.7 m -58.79 -34.48 71.51 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -54.42 -38.06 65.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.635 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.27 -47.43 78.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.462 0.172 . . . . 0.0 110.701 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -70.44 -21.43 62.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -171.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -56.25 -27.4 54.9 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.453 0.168 . . . . 0.0 110.986 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.5 -6.38 59.77 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 121.598 -0.334 . . . . 0.0 112.613 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -93.35 -36.04 12.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.807 0.304 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -143.85 85.19 9.28 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.417 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.14 164.55 35.31 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.521 2.148 . . . . 0.0 112.233 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 54' ' ' LEU . 93.0 m-85 -73.9 162.77 28.73 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.7 143.28 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.77 151.26 47.81 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.06 -1.84 28.5 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 43.1 t80 -71.84 114.36 9.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -19.61 65.83 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -169.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.92 9.15 23.12 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.75 -74.66 0.48 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.494 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 52.33 30.72 8.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 122.785 0.434 . . . . 0.0 111.411 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -81.44 156.18 25.49 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' H ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -112.84 141.46 46.63 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -176.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -134.13 139.26 45.78 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.691 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -68.97 -39.74 79.26 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.44 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.08 151.7 32.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.051 0.453 . . . . 0.0 111.226 -175.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.51 -39.37 76.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.771 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.37 -40.76 89.94 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -61.33 -46.47 90.11 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.3 tp -62.4 -48.26 80.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.797 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.64 -44.9 90.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.284 0.234 . . . . 0.0 111.308 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -59.81 -46.9 87.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -36.97 79.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -53.12 -38.02 62.27 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.755 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.11 -33.27 62.68 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.935 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -57.39 -31.82 66.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.575 0.35 . . . . 0.0 111.652 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 25.3 p80 -132.24 55.46 1.88 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.338 0.59 . . . . 0.0 110.508 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -153.75 -49.53 0.09 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.369 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.93 -7.33 1.58 Allowed Glycine 0 N--CA 1.48 1.606 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.547 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 t 68.77 -68.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.48 0.712 . . . . 0.0 111.206 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -151.59 96.23 3.2 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-O 120.605 0.241 . . . . 0.0 111.268 -170.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 82.4 Cg_endo -88.92 -22.48 1.08 Allowed 'Trans proline' 0 CA--C 1.561 1.838 0 C-N-CA 122.726 2.284 . . . . 0.0 113.433 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 89.9 m-85 -78.22 86.7 4.33 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 120.734 0.302 . . . . 0.0 110.826 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.13 127.47 36.57 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.74 143.59 57.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.476 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -92.43 -12.91 30.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 175.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.71 -64.67 1.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.823 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 30.5 p -98.62 2.13 47.02 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 63.47 18.74 11.27 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.463 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 7.6 mmm180 -70.33 173.51 6.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.561 0.22 . . . . 0.0 110.628 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -137.33 142.94 41.83 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.541 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.97 162.08 33.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.8 m -97.8 -10.89 24.0 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.62 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -143.88 148.2 35.11 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -68.02 -31.32 70.92 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.045 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.38 -37.95 89.27 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 120.583 0.23 . . . . 0.0 110.812 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -71.51 -36.22 71.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.717 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 8.1 tt -66.87 -47.63 71.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.275 0.083 . . . . 0.0 110.836 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -61.53 -39.47 91.14 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.81 0.338 . . . . 0.0 110.539 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.1 m -61.19 -49.57 76.65 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.289 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -62.34 -33.01 73.87 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.221 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.2 m -54.23 -38.99 66.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.745 0.418 . . . . 0.0 110.865 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -61.68 -22.46 65.34 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.71 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 m -54.4 -47.18 73.03 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.051 172.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -74.21 -27.55 60.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.681 0.277 . . . . 0.0 110.67 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -91.62 -6.26 52.55 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.91 24.1 59.97 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.189 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.12 123.3 34.48 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.039 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.6 87.9 40.27 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.288 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 85.2 Cg_endo -83.52 -18.45 5.78 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 122.511 2.141 . . . . 0.0 113.059 -175.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -84.26 78.42 9.79 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.013 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 t -78.65 142.23 37.35 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.668 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.479 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.9 t -70.4 161.33 30.7 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -86.12 0.53 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.622 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.8 m95 54.24 -179.87 0.03 OUTLIER Pre-proline 0 CA--C 1.576 1.965 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 26.8 Cg_exo -48.01 -43.75 29.52 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.314 2.01 . . . . 0.0 112.662 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 m -170.75 64.28 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.4 t -87.8 177.68 6.93 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.308 0.575 . . . . 0.0 111.121 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.4 tp-100 -160.7 13.97 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.908 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -79.4 137.55 37.32 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -128.52 132.46 48.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.09 165.37 12.97 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.908 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.06 -3.73 34.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -133.99 141.62 47.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.0 0.429 . . . . 0.0 110.629 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.1 p -57.15 -48.31 79.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.382 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.05 -33.78 76.17 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.78 -42.63 97.93 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.7 tp -67.37 -39.03 85.63 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.003 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.17 -45.71 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.44 -46.54 89.64 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.593 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.5 -49.54 69.93 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.65 -39.75 74.27 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.77 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -15.71 63.62 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.221 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.1 mtt -114.25 7.23 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.457 0.303 . . . . 0.0 110.973 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.739 0.305 . . . . 0.0 110.97 -173.361 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.95 0.405 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 64.1 mtt -136.23 158.76 43.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.573 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.444 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 40.4 t -103.04 124.72 49.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.378 171.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 -8.8 57.95 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.926 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.483 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 77.1 t80 -71.82 132.31 85.11 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 120.599 0.238 . . . . 0.0 110.824 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 89.1 Cg_endo -74.82 56.69 4.22 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 122.968 2.445 . . . . 0.0 112.385 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.52 57.68 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 43.8 t -152.13 175.67 12.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.675 0.39 . . . . 0.0 110.11 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.91 -20.34 65.89 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.428 169.861 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 9' ' ' CYS . 2.9 ttmt 71.51 15.7 6.08 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 123.138 0.575 . . . . 0.0 111.337 169.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 7.1 tmm_? -143.23 141.9 31.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.033 0.444 . . . . 0.0 111.408 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.773 ' CD2' HD23 ' A' ' 24' ' ' LEU . 36.8 m-85 -144.83 170.05 16.86 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -115.69 -37.62 3.91 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.285 -175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 14.7 tppt? -108.9 122.28 46.87 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.625 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.711 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.48 -45.29 36.65 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.044 179.188 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.6 ' H ' HD22 ' A' ' 21' ' ' LEU . 42.3 m -68.08 -45.93 72.43 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.535 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.08 -29.36 69.69 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.41 -38.9 65.42 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.205 169.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -38.76 77.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.99 -48.11 66.68 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 38.8 t60 -58.0 -35.25 70.97 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.635 0.255 . . . . 0.0 111.091 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -59.04 -35.04 72.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.303 -176.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -38.37 69.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.26 -47.34 78.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.534 0.207 . . . . 0.0 110.537 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.483 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 45.5 m-70 -75.67 -21.59 57.5 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -60.05 -27.02 66.6 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.13 -8.57 57.72 Favored Glycine 0 CA--C 1.541 1.705 0 CA-C-N 116.394 -0.366 . . . . 0.0 112.576 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.58 -30.81 20.23 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.783 0.291 . . . . 0.0 110.641 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.1 69.02 7.2 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.199 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.3 154.47 65.58 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.485 2.123 . . . . 0.0 112.266 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 54' ' ' LEU . 24.0 m-85 -90.17 166.25 13.49 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.383 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -132.54 151.2 52.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.73 151.88 37.21 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.345 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.93 -8.42 49.38 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.145 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.62 115.9 23.59 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.896 0.379 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.6 -18.45 65.33 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.008 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -91.34 0.27 57.54 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.126 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.9 t -117.4 -68.15 0.94 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 49.98 37.84 14.96 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.331 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.88 162.71 23.83 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 145.23 50.2 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.001 0.429 . . . . 0.0 111.316 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.5 m-85 -129.34 139.39 51.74 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.603 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 p -90.06 20.09 4.52 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.499 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -157.25 148.4 21.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.983 0.421 . . . . 0.0 110.954 172.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.4 p -62.85 -42.76 99.87 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.982 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.88 -33.85 76.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.003 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.48 -44.38 87.3 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.419 0.152 . . . . 0.0 110.688 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 37' ' ' TYR . 30.6 tp -63.61 -45.64 89.42 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.716 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -60.79 -42.48 97.65 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.4 -47.4 85.95 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.83 0.347 . . . . 0.0 110.295 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 41.9 t60 -60.75 -36.82 79.88 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.168 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -53.09 -36.73 61.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.525 0.33 . . . . 0.0 110.911 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 11.5 mmp_? -55.13 -32.89 62.41 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.023 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -55.75 -41.67 74.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.331 0.252 . . . . 0.0 111.443 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -93.63 -31.06 14.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.352 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -77.93 -26.09 48.71 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.817 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.3 -9.19 76.22 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.964 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 13.1 p -73.46 121.45 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -122.79 87.65 50.17 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.989 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.91 -20.1 11.97 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.752 2.301 . . . . 0.0 113.526 -169.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.2 m-85 -82.76 86.09 6.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -94.36 133.99 37.34 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.94 128.71 36.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.409 171.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -71.35 -16.27 62.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.883 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -71.99 0.57 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.019 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -93.77 -4.06 50.98 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.185 0.194 . . . . 0.0 111.522 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 66.71 19.56 10.75 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.758 0.423 . . . . 0.0 111.482 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -67.64 139.67 56.83 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -111.4 132.16 54.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.42 160.1 28.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.51 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -110.35 9.18 23.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -144.44 121.4 11.35 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.668 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -60.27 -29.4 68.78 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.223 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.64 -39.79 95.25 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -75.28 -38.07 60.57 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.4 tt -65.67 -47.38 75.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 121.366 -0.134 . . . . 0.0 110.64 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.28 -42.04 99.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.58 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 m -59.82 -49.48 77.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.779 0.323 . . . . 0.0 110.59 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.78 -38.73 92.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.6 m -54.96 -41.5 71.22 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -69.18 -23.0 63.87 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.959 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 p -68.97 -34.93 76.13 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.383 0.135 . . . . 0.0 110.739 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.29 -19.19 43.5 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 120.647 0.261 . . . . 0.0 110.546 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 m -91.69 -6.11 52.6 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.855 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.29 14.61 66.72 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 121.404 -0.427 . . . . 0.0 112.4 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.93 105.24 12.0 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.52 82.01 63.75 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.452 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -86.0 -14.73 4.99 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 122.8 2.333 . . . . 0.0 113.191 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -83.9 77.43 9.9 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.9 t -79.09 145.6 33.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.28 156.15 39.67 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.42 4.79 8.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.878 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -61.74 150.23 82.63 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 120.727 0.299 . . . . 0.0 110.713 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.95 23.25 0.3 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 122.997 2.465 . . . . 0.0 113.058 -174.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 m -161.53 23.13 0.12 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.29 0.236 . . . . 0.0 110.882 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 33.9 t -144.46 168.69 19.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.219 0.533 . . . . 0.0 111.223 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 1.1 tp-100 -164.38 29.5 0.07 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.04 171.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -68.15 143.62 55.32 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -123.79 133.85 53.74 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 111.171 -171.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.72 164.47 17.34 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.909 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.99 -3.42 32.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -130.54 139.77 50.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.985 0.421 . . . . 0.0 110.676 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.9 p -57.14 -48.16 79.38 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.303 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -64.52 -33.52 76.1 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.777 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.59 -43.06 97.79 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 173.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.87 -40.35 87.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.078 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.23 -47.39 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -60.9 -46.74 89.42 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.671 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -57.6 -47.39 82.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.985 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -56.69 -33.6 66.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.791 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -16.25 63.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.441 0.162 . . . . 0.0 111.212 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.8 mtt -81.03 -17.94 48.48 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.527 0.203 . . . . 0.0 110.97 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.346 0.452 0 CA-C-O 120.75 0.31 . . . . 0.0 110.469 177.146 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.3 ptt? -80.83 138.42 36.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.079 0.466 . . . . 0.0 110.78 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.37 140.31 56.23 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.666 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.02 -17.13 61.47 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.501 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 66.6 t80 -72.5 117.87 62.8 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-O 120.565 0.222 . . . . 0.0 110.984 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.89 110.72 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 122.637 2.225 . . . . 0.0 112.082 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.83 -38.84 2.08 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.2 -78.13 0.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m120 49.62 27.18 2.04 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.39 152.96 44.3 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.413 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -98.49 127.55 44.47 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.155 0.502 . . . . 0.0 111.094 -170.574 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 60.9 m-85 -109.34 170.32 8.13 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.441 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.98 -38.43 3.65 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.601 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 49.8 mtpt -97.39 115.55 27.94 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.653 0.263 . . . . 0.0 110.492 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -44.85 -47.19 11.08 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.797 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -67.93 -45.27 74.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.936 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.97 -30.92 71.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.586 0.231 . . . . 0.0 110.407 -178.595 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.1 -42.04 63.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.264 170.068 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -57.98 -38.79 76.72 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 tpt -64.31 -46.63 82.74 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -57.85 -36.81 72.82 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.574 0.225 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 p -59.07 -34.99 72.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.747 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 32' ' ' THR . 7.2 tmm_? -55.69 -38.23 69.38 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.4 -42.62 78.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.561 0.219 . . . . 0.0 110.469 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 74.8 m-70 -78.51 -21.39 48.96 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.354 -176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -59.72 -14.8 15.77 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.946 0.403 . . . . 0.0 109.945 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.93 40.23 1.68 Allowed Glycine 0 CA--C 1.544 1.866 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 169.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.92 60.6 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.782 0.433 . . . . 0.0 111.826 -172.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -146.65 160.54 41.02 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.499 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.11 90.55 0.55 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.096 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.5 m-85 -63.13 112.15 2.52 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.238 174.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.0 148.6 24.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.016 0.436 . . . . 0.0 111.12 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.25 153.0 44.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.775 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.99 -8.56 25.21 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.05 110.47 3.95 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -59.93 -25.62 65.3 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.986 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.74 8.89 13.19 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 120.546 0.212 . . . . 0.0 111.176 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.5 t -136.81 -81.43 0.38 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.673 0.389 . . . . 0.0 110.669 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 54.24 34.65 20.86 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 122.874 0.47 . . . . 0.0 111.657 -176.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 159.01 35.0 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 171.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -113.52 141.08 47.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.98 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 99.1 m-85 -130.3 148.82 52.17 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.8 p -99.19 21.83 11.31 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -161.81 150.8 15.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.415 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 p -63.93 -42.44 97.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -34.08 75.63 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.032 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.36 -48.9 79.17 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.0 tp -60.35 -49.86 75.9 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.91 -44.18 96.78 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.441 0.163 . . . . 0.0 111.056 -179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -57.72 -47.09 83.4 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.746 0.308 . . . . 0.0 110.247 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -60.48 -49.47 77.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.349 -178.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -54.7 -38.27 66.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.71 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.31 63.37 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.705 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -31.59 68.77 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -115.39 -5.13 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.0 p -102.25 -27.81 12.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.198 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.01 105.68 0.52 Allowed Glycine 0 N--CA 1.472 1.082 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -46.52 -79.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -169.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 64' ' ' VAL . 46.9 mmtt -144.04 80.66 12.23 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-O 120.615 0.245 . . . . 0.0 111.149 -171.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.2 -22.11 5.14 Favored 'Trans proline' 0 CA--C 1.552 1.412 0 C-N-CA 122.604 2.203 . . . . 0.0 113.324 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.41 94.46 7.99 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.531 0.205 . . . . 0.0 110.482 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -95.12 137.45 34.16 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.706 0.288 . . . . 0.0 111.279 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.76 147.43 53.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.411 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -85.7 -14.28 45.86 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -73.1 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -172.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.21 -2.97 59.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.382 0.273 . . . . 0.0 111.25 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 61.72 24.53 14.62 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 122.721 0.409 . . . . 0.0 111.228 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -64.85 164.15 12.97 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.62 138.11 49.95 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.997 0.427 . . . . 0.0 111.0 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -135.1 167.14 21.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.353 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 p -102.55 -15.16 16.5 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.937 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -136.75 152.82 50.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.048 0.451 . . . . 0.0 111.128 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 p -72.96 -34.56 66.57 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.26 -35.02 79.47 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.565 0.222 . . . . 0.0 110.591 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -68.59 -45.31 72.34 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.635 172.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.15 -47.65 79.07 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.402 0.144 . . . . 0.0 110.967 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.68 -37.03 80.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 m -65.84 -49.6 67.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.664 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.58 -34.59 75.87 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.936 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.8 m -54.39 -41.22 69.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.889 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -62.29 -22.8 66.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.234 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -54.58 -36.22 64.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.696 0.284 . . . . 0.0 110.814 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -86.9 -28.76 22.6 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.322 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.8 p -91.7 -6.4 52.08 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.75 9.37 55.88 Favored Glycine 0 CA--C 1.55 2.24 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.738 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.03 94.56 1.11 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -122.67 78.84 47.98 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.395 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -80.52 -18.63 9.37 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.783 2.322 . . . . 0.0 113.111 -174.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.21 81.09 8.96 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.758 0.313 . . . . 0.0 110.674 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 t -89.72 142.77 27.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.41 135.03 48.39 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.589 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 7.99 29.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.198 -175.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -58.85 151.61 53.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.43 23.7 0.32 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 123.038 2.492 . . . . 0.0 112.939 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.7 m -160.27 18.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.313 0.245 . . . . 0.0 111.038 177.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.3 t -150.09 152.68 35.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 120.805 0.336 . . . . 0.0 110.802 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -146.08 36.23 1.02 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.847 171.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 32.4 mtmm -71.17 166.38 21.61 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.281 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -128.79 144.81 51.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.13 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -133.73 155.75 49.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.52 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.15 3.92 44.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -134.27 134.77 42.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -57.11 -43.8 82.62 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.3 -33.47 75.35 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.581 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.66 -42.07 96.31 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.278 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.73 -42.62 90.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.881 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.1 -47.23 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.157 175.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -61.47 -46.77 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.766 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.413 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 75.2 t60 -55.76 -49.84 72.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.677 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -56.76 -38.17 72.07 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.914 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -18.68 63.62 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 120.524 0.202 . . . . 0.0 111.095 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -103.76 -1.6 27.69 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.036 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.344 0.334 0 CA-C-O 120.599 0.238 . . . . 0.0 111.091 -171.707 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.574 0.226 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.6 158.61 44.03 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.818 0.342 . . . . 0.0 110.607 169.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 144.08 44.77 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.986 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.22 -2.79 58.08 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -79.02 127.99 77.78 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-O 120.64 0.257 . . . . 0.0 110.479 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.08 -12.47 32.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.679 2.252 . . . . 0.0 113.094 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.25 7.31 72.34 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.133 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -134.59 -72.18 0.48 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.367 0.267 . . . . 0.0 110.765 -175.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.25 32.17 0.93 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.001 0.52 . . . . 0.0 111.645 -176.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -79.77 175.4 10.65 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -113.77 151.31 32.17 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.14 0.495 . . . . 0.0 111.415 -173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.691 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -139.59 161.23 38.0 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.384 -176.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -107.91 -45.5 3.97 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.313 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 85.5 mttt -92.91 117.95 30.6 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 tp -45.14 -47.94 12.21 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.728 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -67.86 -45.85 73.41 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.669 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.95 -30.42 71.55 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.063 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.27 -39.44 65.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.099 170.021 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.83 77.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.64 80.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.673 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.97 -39.87 79.21 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 120.643 0.259 . . . . 0.0 110.616 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -59.27 -35.08 73.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.26 69.2 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.48 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -45.53 80.39 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.602 0.239 . . . . 0.0 110.842 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -75.94 -21.29 57.19 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -172.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -51.03 -33.57 25.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.68 31.12 9.09 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 116.446 -0.343 . . . . 0.0 112.541 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -126.54 18.12 7.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.707 0.253 . . . . 0.0 110.943 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -94.31 106.7 24.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -73.62 81.52 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.439 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.728 ' HB3' HD22 ' A' ' 54' ' ' LEU . 55.7 m-85 -77.39 159.71 29.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -132.67 150.08 52.21 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.74 138.69 56.97 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.893 0.378 . . . . 0.0 110.769 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -98.66 8.71 44.61 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.019 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -70.73 159.46 34.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.118 0.485 . . . . 0.0 111.094 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -63.94 -37.21 86.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.404 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -128.58 62.61 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 33.9 t -147.61 171.7 15.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.592 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -157.65 15.46 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -76.57 145.61 38.88 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 149.24 40.03 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.129 0.49 . . . . 0.0 110.853 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.0 m-85 -130.96 164.66 24.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.2 p -103.68 -9.9 18.78 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.58 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -138.89 156.0 47.63 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-O 121.004 0.43 . . . . 0.0 110.941 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -40.52 85.65 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.65 176.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -69.31 -34.46 74.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.36 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -64.85 -46.58 81.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.692 0.282 . . . . 0.0 110.387 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -62.13 -46.5 88.74 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.794 174.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.61 -42.4 88.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.449 0.166 . . . . 0.0 110.893 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -61.08 -47.49 86.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.713 0.292 . . . . 0.0 110.341 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.4 t60 -60.64 -45.29 94.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.764 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -53.5 -38.27 63.55 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.06 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -33.28 66.45 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.202 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -63.44 -36.67 84.51 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.517 0.199 . . . . 0.0 111.069 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -84.21 -33.36 24.16 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.138 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.9 p -88.0 -23.87 23.69 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.48 7.25 63.93 Favored Glycine 0 CA--C 1.547 2.041 0 C-N-CA 121.587 -0.339 . . . . 0.0 113.207 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.6 t -52.5 -50.74 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 116.973 0.386 . . . . 0.0 111.225 -174.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 50.77 66.07 5.94 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.11 -19.68 22.54 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.744 2.296 . . . . 0.0 113.333 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' HB3' HD13 ' A' ' 82' ' ' LEU . 94.3 m-85 -81.85 91.7 6.57 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.767 0.318 . . . . 0.0 110.393 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -91.96 135.97 33.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.721 0.296 . . . . 0.0 110.673 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.68 135.35 55.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.472 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -19.69 65.8 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.279 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -76.53 0.53 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.009 -171.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -86.7 -5.02 59.24 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.504 0.192 . . . . 0.0 111.374 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 66.94 19.49 10.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.776 0.431 . . . . 0.0 111.409 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.29 140.5 58.5 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 172.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -105.5 132.59 51.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.647 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -128.8 156.26 43.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.449 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -100.01 -0.81 38.5 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.441 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -138.8 135.75 34.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -64.22 -32.08 73.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.136 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -68.15 -34.95 77.28 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.09 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -69.8 -40.86 75.72 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.851 -0.159 . . . . 0.0 110.626 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.0 tt -66.58 -44.71 81.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.479 0.18 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -62.0 -36.25 80.97 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.1 m -68.24 -49.52 60.12 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.631 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -64.64 -30.12 71.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -54.23 -40.81 68.03 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.787 0.435 . . . . 0.0 110.8 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -61.96 -23.14 66.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.039 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -58.07 -42.79 86.27 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.767 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -86.7 -24.34 25.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.73 -6.2 52.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.472 -171.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.42 56.69 Favored Glycine 0 CA--C 1.545 1.942 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.242 -177.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.28 108.64 17.88 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.876 0.369 . . . . 0.0 111.042 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.54 85.48 60.22 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.359 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.0 -18.33 3.6 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 122.777 2.318 . . . . 0.0 112.965 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.3 m-85 -83.51 79.92 9.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.898 0.38 . . . . 0.0 110.956 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.4 t -78.85 146.1 33.84 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.63 176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' HD11 ' A' ' 112' ' ' LEU . 13.4 t -70.38 161.14 31.02 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.31 171.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -124.04 1.58 8.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.859 -175.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -61.64 147.18 89.15 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.812 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.51 27.05 0.35 Allowed 'Trans proline' 0 CA--C 1.552 1.375 0 C-N-CA 123.103 2.535 . . . . 0.0 112.953 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.2 m -164.58 35.93 0.07 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.421 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 47.3 t -136.35 168.51 19.29 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.262 0.554 . . . . 0.0 111.315 -176.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.28 24.18 0.13 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.192 175.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -92.94 148.34 22.09 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.497 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -128.54 152.61 48.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.3 159.57 37.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.06 -5.26 50.83 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.278 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -135.62 144.47 46.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 12.9 p -58.25 -48.01 81.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.694 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.1 -33.75 76.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.315 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.75 -43.77 97.53 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.8 tp -65.75 -39.83 91.49 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.053 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.8 t -58.29 -45.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.636 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -54.29 -50.03 68.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.538 0.209 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -56.7 -38.57 72.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.894 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -17.66 63.64 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.035 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.4 mtp -107.25 3.99 26.11 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.423 0.289 . . . . 0.0 110.931 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.63 0.252 . . . . 0.0 111.001 -172.455 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.0 mtp -136.29 158.71 43.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 169.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.09 144.9 42.69 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.891 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.37 0.26 53.36 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 52.8 t80 -83.23 124.93 75.64 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 122.399 -0.188 . . . . 0.0 110.72 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.59 -25.63 50.96 Favored 'Trans proline' 0 C--N 1.364 1.348 0 C-N-CA 122.921 2.414 . . . . 0.0 113.451 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.34 1.12 85.99 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.582 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 t -127.93 -77.58 0.57 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.488 0.315 . . . . 0.0 110.608 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.15 26.94 14.33 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -85.62 -176.82 6.22 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.77 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 148.34 34.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.092 0.472 . . . . 0.0 111.31 -171.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 67.2 m-85 -133.83 170.08 16.11 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.991 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -124.0 -4.62 8.0 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.595 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -141.72 127.42 19.14 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.589 0.233 . . . . 0.0 110.658 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.65 -50.1 55.34 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.965 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.07 -45.88 72.61 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.649 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -31.64 72.95 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 120.672 0.272 . . . . 0.0 110.41 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.17 -38.75 66.08 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.171 170.012 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.0 -38.51 79.37 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.702 0.287 . . . . 0.0 110.359 174.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.6 tpt -65.03 -46.49 81.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.652 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.1 -35.64 71.72 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m -59.2 -34.51 72.24 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.71 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -55.25 -38.18 68.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.925 -0.125 . . . . 0.0 110.737 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -42.01 77.41 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.701 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 66.2 m-70 -88.58 -21.21 24.16 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.796 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -13.29 1.4 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.738 0.415 . . . . 0.0 111.696 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.53 38.0 1.95 Allowed Glycine 0 CA--C 1.542 1.777 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -127.04 11.18 7.03 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.05 120.03 72.21 Favored Pre-proline 0 CA--C 1.55 0.952 0 O-C-N 122.227 -0.296 . . . . 0.0 110.59 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.34 104.94 1.77 Allowed 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.638 2.225 . . . . 0.0 112.57 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 54' ' ' LEU . 75.7 m-85 -101.93 165.4 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.76 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -132.42 150.72 52.1 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.68 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.55 136.09 32.97 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 120.917 0.389 . . . . 0.0 111.129 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -75.63 -11.17 59.96 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.267 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -70.41 123.06 20.83 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.86 0.362 . . . . 0.0 110.477 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 8.3 0.66 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -171.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -132.98 10.38 4.22 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.131 0.172 . . . . 0.0 111.328 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.0 t -109.36 156.64 19.76 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 29.91 3.89 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.722 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.16 146.85 23.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.46 149.9 50.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.804 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 77.2 m-85 -132.64 164.62 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.654 -174.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 p -105.38 -5.81 20.1 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -144.15 150.11 37.55 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -40.61 74.85 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.37 -37.68 83.56 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.292 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.47 -47.85 83.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.672 0.272 . . . . 0.0 110.337 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -61.89 -47.05 86.71 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -59.08 -40.2 84.5 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.136 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -65.88 -43.85 87.07 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 81.2 t60 -60.77 -39.04 87.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.02 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -53.33 -38.22 63.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.184 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 7.9 mmp_? -55.35 -33.24 63.22 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.443 0.163 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.91 -36.81 84.6 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.344 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.71 -34.99 19.52 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.638 0.256 . . . . 0.0 111.044 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 p -83.24 -21.78 33.28 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.204 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.01 -2.14 44.24 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 121.784 -0.246 . . . . 0.0 112.977 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.423 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 8.3 p -69.98 147.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 111.123 -174.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -130.95 82.08 65.11 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.186 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -66.19 -23.88 52.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.801 2.334 . . . . 0.0 113.562 -169.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB3' HD13 ' A' ' 82' ' ' LEU . 47.0 m-85 -95.68 127.51 41.77 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -176.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -124.1 137.84 54.51 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.3 t -69.33 144.85 53.39 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.713 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -9.84 55.55 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 175.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -66.09 0.94 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.946 -172.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.81 -8.33 49.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.549 0.214 . . . . 0.0 111.106 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.79 20.06 10.65 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -80.79 155.97 26.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 120.596 0.236 . . . . 0.0 110.534 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -114.39 146.85 40.07 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.097 0.475 . . . . 0.0 111.318 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -136.22 158.62 43.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.99 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -98.13 4.77 49.05 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.619 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.25 140.58 39.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.723 0.296 . . . . 0.0 110.999 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -64.93 -34.77 79.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.901 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.49 -35.42 73.25 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.477 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -76.81 -36.03 57.19 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.641 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.7 tt -66.08 -47.14 75.24 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.406 0.145 . . . . 0.0 110.672 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.61 -36.43 83.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.708 0.29 . . . . 0.0 110.648 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -63.76 -49.39 73.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.629 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.446 ' O ' ' HB ' ' A' ' 88' ' ' THR . 54.0 t60 -63.67 -30.99 72.03 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.9 m -60.64 -41.49 95.04 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.202 -0.311 . . . . 0.0 110.374 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -65.29 -23.15 66.95 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.951 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 64.2 m -70.65 -31.84 68.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.858 -0.156 . . . . 0.0 110.756 175.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.97 -23.1 27.03 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.62 0.247 . . . . 0.0 110.847 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.0 m -91.81 -6.11 52.26 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.109 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.63 16.27 50.24 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.271 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.82 98.18 5.49 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.903 0.382 . . . . 0.0 110.589 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -118.56 82.61 19.9 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -83.36 -16.6 6.94 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.761 2.307 . . . . 0.0 113.006 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 109' ' ' SER . 92.5 m-85 -84.08 76.79 10.04 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.828 0.347 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 p -82.17 144.74 30.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.6 t -70.44 161.12 31.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -113.2 -4.45 13.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.095 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -67.21 134.64 93.48 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.51 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.66 37.86 0.59 Allowed 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 123.026 2.484 . . . . 0.0 113.003 -171.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.6 m -165.62 35.38 0.06 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.261 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 t -147.93 -87.13 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.186 -170.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.91 27.46 16.83 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.538 -173.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.06 158.93 35.05 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -128.43 148.82 50.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.011 0.434 . . . . 0.0 111.535 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -132.9 160.1 38.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.576 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.51 2.06 47.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -135.68 136.22 40.72 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.97 0.415 . . . . 0.0 110.655 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.407 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.3 t -57.04 -45.21 83.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.553 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.01 -33.49 75.67 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.52 -42.47 96.51 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.7 tp -66.66 -40.23 88.56 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.013 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.22 -44.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 120.67 0.272 . . . . 0.0 110.272 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.79 -46.65 87.02 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.656 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.31 -48.87 70.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.786 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -56.78 -39.78 74.69 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.012 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -71.79 -15.63 62.16 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 120.497 0.189 . . . . 0.0 111.175 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.9 mtt -107.98 8.42 28.38 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.441 0.296 . . . . 0.0 110.873 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.345 0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.014 -173.754 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -136.49 158.6 44.06 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.66 146.18 46.73 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.8 -7.4 43.49 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.693 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -76.66 121.07 84.2 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 122.304 -0.247 . . . . 0.0 110.747 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.04 101.99 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.664 2.243 . . . . 0.0 112.044 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.7 -34.21 2.19 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.657 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -93.32 -79.25 0.41 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m120 49.19 31.79 3.82 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.275 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -79.34 166.74 21.76 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.75 159.49 14.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.499 0.666 . . . . 0.0 111.719 -170.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.742 ' CD2' HD23 ' A' ' 24' ' ' LEU . 72.0 m-85 -144.74 170.3 16.37 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.613 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -120.44 -47.33 2.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.562 0.22 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 71.7 mmtt -86.52 121.39 28.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.691 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.05 -45.44 32.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.76 175.548 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -46.1 71.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.45 -30.16 70.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.342 -177.006 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.742 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.43 -39.1 65.27 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.295 169.754 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -58.28 -38.54 77.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -46.56 70.88 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.02 -39.48 78.46 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.365 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -59.29 -34.89 72.83 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.837 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.9 ttp85 -55.7 -38.43 69.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.85 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -56.48 -42.3 78.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.596 0.236 . . . . 0.0 110.57 177.548 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -82.42 -21.48 35.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.401 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -24.03 67.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.06 11.21 69.63 Favored Glycine 0 CA--C 1.543 1.789 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.354 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -124.46 4.45 8.35 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.613 0.365 . . . . 0.0 111.123 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 115.51 42.78 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.497 0.189 . . . . 0.0 110.573 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.03 108.24 2.41 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.586 2.191 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.776 ' HB3' HD22 ' A' ' 54' ' ' LEU . 66.9 m-85 -110.35 160.07 16.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 173.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -132.47 145.34 51.11 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.01 132.15 46.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.869 0.366 . . . . 0.0 110.663 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.06 -2.94 50.2 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.247 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.63 119.84 13.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -64.99 -5.84 7.18 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -169.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -121.08 10.13 10.68 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 122.129 0.171 . . . . 0.0 111.318 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -99.88 170.93 8.18 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 110.695 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -151.31 34.56 0.57 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.709 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -108.84 142.93 38.71 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.912 0.387 . . . . 0.0 110.677 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -121.81 148.13 45.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 84.3 m-85 -126.25 164.63 20.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.301 -177.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -106.38 2.11 26.25 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.612 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -153.57 152.77 31.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.216 0.532 . . . . 0.0 111.198 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -42.09 84.79 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.007 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -34.15 74.07 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.305 -176.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -62.86 -48.39 79.21 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.667 0.27 . . . . 0.0 110.344 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.2 tp -62.26 -49.83 74.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 177.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -57.05 -44.14 82.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.575 0.226 . . . . 0.0 110.881 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -58.67 -45.71 88.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.402 173.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 72.6 t60 -60.61 -36.85 79.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.934 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -53.36 -38.21 63.11 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.825 -0.17 . . . . 0.0 111.29 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -33.14 63.19 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 122.359 -0.213 . . . . 0.0 110.929 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.72 -37.41 81.64 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.428 0.156 . . . . 0.0 111.176 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -87.59 -38.51 15.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.645 0.259 . . . . 0.0 111.083 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -78.44 -20.69 50.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.181 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.96 -0.66 71.71 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 116.603 -0.271 . . . . 0.0 112.631 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.76 124.26 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.946 0.403 . . . . 0.0 110.948 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -119.29 87.59 35.78 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.919 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.52 -17.49 7.43 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.578 2.185 . . . . 0.0 113.226 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -87.71 90.37 8.35 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.729 0.299 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -97.22 140.78 31.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.806 0.336 . . . . 0.0 110.995 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.43 140.41 55.78 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -12.77 58.58 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.941 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -63.81 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.2 p -98.58 -4.16 34.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.539 0.209 . . . . 0.0 111.44 -175.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 60.86 21.07 11.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.786 0.434 . . . . 0.0 111.607 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 tpt85 -73.43 146.29 45.16 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.363 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -100.93 148.17 25.31 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 110.907 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -140.08 156.16 46.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.984 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 p -99.38 -8.78 24.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.695 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -136.82 141.7 42.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.869 0.366 . . . . 0.0 110.956 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 p -64.74 -32.74 74.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.226 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -66.51 -36.42 82.68 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.074 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -75.21 -36.5 61.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.895 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.72 -47.55 74.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.461 0.172 . . . . 0.0 110.555 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.4 -34.41 77.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.636 0.255 . . . . 0.0 110.641 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 m -66.8 -49.56 65.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.718 0.294 . . . . 0.0 110.584 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.64 -31.89 73.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -54.26 -41.01 68.31 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 122.722 0.409 . . . . 0.0 110.79 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -62.11 -23.11 66.34 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.997 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 m -59.05 -44.72 91.84 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.657 0.265 . . . . 0.0 110.917 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -82.47 -22.48 35.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.706 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.8 -6.26 52.03 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.253 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.97 20.18 57.43 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.44 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 102.21 14.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -171.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -123.77 87.83 52.45 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.39 -15.91 3.36 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.752 2.301 . . . . 0.0 112.961 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -85.6 76.57 9.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.9 p -78.95 145.58 33.92 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.8 t -70.28 161.19 30.81 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 172.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.92 5.55 7.3 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -59.7 148.48 75.12 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-O 120.714 0.293 . . . . 0.0 110.627 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.51 27.45 0.31 Allowed 'Trans proline' 0 CA--C 1.553 1.434 0 C-N-CA 123.031 2.487 . . . . 0.0 113.316 -169.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 m -164.21 20.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.824 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.554 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 24.9 t -118.69 168.88 10.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.331 0.586 . . . . 0.0 111.628 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.16 15.95 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.177 178.239 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 26.6 mtmm -85.5 147.97 26.19 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -172.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -128.6 148.63 50.8 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.08 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -129.59 159.43 36.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.606 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.46 -1.5 50.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -133.7 137.88 45.52 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.936 0.398 . . . . 0.0 110.698 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -57.25 -45.97 83.46 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.84 -33.5 75.73 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.631 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.7 -43.11 98.19 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.95 -40.34 91.26 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.026 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.17 -44.47 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.33 -46.64 87.81 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.595 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -54.32 -49.25 70.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.716 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.67 -40.17 75.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.025 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -72.0 -15.62 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.471 0.177 . . . . 0.0 111.139 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.5 mtt -108.09 7.11 27.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.401 0.28 . . . . 0.0 110.828 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.686 0.279 . . . . 0.0 110.959 -173.65 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 120.688 0.28 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.13 17.22 0.08 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.4 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -66.48 -17.82 65.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.192 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -147.33 99.81 3.19 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.207 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -136.7 83.24 30.46 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.06 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.04 -36.01 83.15 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.729 2.286 . . . . 0.0 112.408 175.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 86.4 m-85 -135.39 161.79 34.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.42 158.69 43.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 168.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.52 140.06 46.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.03 0.93 57.43 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -80.55 126.96 77.23 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -68.45 -15.11 41.42 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.716 2.277 . . . . 0.0 113.103 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.72 -4.33 85.26 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 121.329 -0.462 . . . . 0.0 112.322 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -124.89 -75.89 0.59 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.431 0.292 . . . . 0.0 110.656 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.28 26.95 7.34 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.371 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -82.27 170.83 14.94 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.365 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -98.88 154.72 17.82 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.307 0.575 . . . . 0.0 111.652 -172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 24' ' ' LEU . 73.2 m-85 -140.33 168.67 19.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.708 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.46 -35.2 3.14 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.311 -174.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.5 mppt? -103.82 118.15 36.02 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.295 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 1.9 pt? -49.16 -44.03 42.43 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.622 0.249 . . . . 0.0 111.098 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -68.06 -45.31 74.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.9 -29.42 70.6 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.599 0.237 . . . . 0.0 110.539 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.22 -38.97 65.87 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.005 169.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.46 76.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 174.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.22 -47.72 72.92 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.86 -41.17 81.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.055 0.455 . . . . 0.0 110.584 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 t -59.07 -30.14 67.85 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.064 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -55.09 -38.07 67.64 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -40.08 73.38 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.512 176.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -81.23 -21.4 39.54 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -57.47 -23.25 48.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 122.296 -0.252 . . . . 0.0 111.019 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.55 21.4 39.08 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 116.529 -0.305 . . . . 0.0 112.418 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -128.97 16.52 6.24 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.511 0.324 . . . . 0.0 111.374 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HE2' " H3'" ' C' ' 138' ' ' ' DC' . 56.5 mttp -105.04 102.32 35.3 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 122.226 0.21 . . . . 0.0 110.574 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.32 86.3 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.6 2.2 . . . . 0.0 113.165 -170.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 54' ' ' LEU . 78.9 m-85 -75.64 166.55 23.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.684 169.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.47 153.37 50.95 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.761 0.315 . . . . 0.0 110.691 175.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.46 143.06 46.83 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.01 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.11 -10.27 42.55 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 42.6 m-85 -70.27 156.37 39.36 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.038 0.446 . . . . 0.0 111.334 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -88.74 -8.74 53.93 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.594 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.56 13.76 29.53 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 1.9 t -138.71 173.11 11.92 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.98 175.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -160.87 29.84 0.15 Allowed 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -85.8 161.81 18.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.596 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -130.24 141.38 50.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.5 m-85 -128.35 139.35 52.44 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.7 p -86.98 2.13 50.52 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -141.26 148.51 39.97 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 120.901 0.381 . . . . 0.0 110.747 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -44.52 92.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.26 -37.63 88.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -62.51 -48.85 77.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.499 0.19 . . . . 0.0 110.752 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' TYR . 41.1 tp -62.2 -48.1 81.49 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.648 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.3 -41.34 88.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.532 0.206 . . . . 0.0 111.1 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.21 -47.46 82.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.254 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.4 t60 -60.74 -37.64 82.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.333 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -53.16 -38.33 62.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.543 0.211 . . . . 0.0 110.5 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -56.98 -33.23 66.89 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.556 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.25 -31.75 63.84 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.45 0.167 . . . . 0.0 111.054 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 85.0 m-70 -90.13 -39.81 12.63 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.1 p -77.24 -25.01 51.12 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.568 0.223 . . . . 0.0 111.137 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.92 4.65 88.64 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.577 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.7 126.83 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.004 0.43 . . . . 0.0 110.732 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -131.16 79.93 69.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.317 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.7 -16.65 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.783 2.322 . . . . 0.0 113.257 -171.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.679 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.9 m-85 -86.27 96.78 10.07 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -104.11 134.95 46.51 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 120.974 0.416 . . . . 0.0 110.953 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.12 140.59 58.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.903 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -77.64 -18.88 56.3 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 -65.25 1.01 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -172.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -99.96 -2.67 34.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.605 0.241 . . . . 0.0 111.37 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.27 22.83 13.13 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -65.51 155.28 36.13 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -121.45 133.98 55.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.21 162.62 27.42 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.23 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t -113.1 4.62 16.71 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.441 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -136.07 127.64 28.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.29 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -58.65 -32.76 69.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.995 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.77 -40.6 88.29 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.071 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.431 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.1 m-70 -67.68 -43.02 81.15 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.608 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.4 tt -65.69 -47.57 75.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.298 0.094 . . . . 0.0 110.829 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.42 -34.5 77.87 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.565 0.221 . . . . 0.0 110.448 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -49.54 68.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' O ' ' HB ' ' A' ' 88' ' ' THR . 52.6 t60 -64.02 -31.7 72.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -57.52 -41.42 80.83 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.518 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -65.28 -24.53 67.33 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.115 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 35.2 m -67.21 -34.08 76.73 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.385 0.136 . . . . 0.0 110.75 174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -86.39 -22.04 26.83 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.529 0.204 . . . . 0.0 110.898 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.053 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.04 14.15 55.16 Favored Glycine 0 CA--C 1.545 1.914 0 C-N-CA 121.467 -0.397 . . . . 0.0 112.429 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.76 98.13 6.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.941 0.401 . . . . 0.0 110.615 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.18 80.14 27.53 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.73 -14.02 7.91 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.817 2.345 . . . . 0.0 112.936 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.12 74.44 10.48 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.823 0.344 . . . . 0.0 110.695 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -85.56 144.24 28.02 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.913 0.387 . . . . 0.0 110.752 176.144 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.03 154.44 41.94 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.251 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -111.74 0.32 16.22 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.292 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 16.6 m95 -64.97 157.27 76.95 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-O 120.511 0.196 . . . . 0.0 110.706 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 99' ' ' TRP . 31.6 Cg_exo -68.48 7.35 0.71 Allowed 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 122.827 2.351 . . . . 0.0 113.991 -170.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 m -174.88 74.4 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.589 0.233 . . . . 0.0 110.611 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.4 t -164.48 -80.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.896 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 62.41 14.93 7.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.153 0.581 . . . . 0.0 111.864 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -55.22 137.74 46.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -109.46 140.27 43.41 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.136 0.493 . . . . 0.0 111.555 -169.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -130.62 160.37 34.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.51 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.44 2.11 49.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -135.92 136.42 40.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.094 0.473 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 p -57.18 -47.11 82.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.76 -33.51 76.03 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.604 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.54 -44.82 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.82 -39.07 93.34 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.833 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.8 t -59.13 -47.48 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 120.463 0.173 . . . . 0.0 110.723 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -63.6 -46.48 85.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.4 -45.71 72.98 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.857 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -60.89 -33.88 73.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.1 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -71.53 -15.65 62.3 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.527 0.204 . . . . 0.0 110.931 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.7 tpp -79.11 -16.41 56.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.048 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 C--N 1.349 0.558 0 CA-C-O 120.79 0.329 . . . . 0.0 110.479 176.914 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.275 0 C3'-C2'-C1' 98.352 -3.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.221 0 P-O3'-C3' 122.036 1.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-C2' 101.366 -4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.247 0 O4'-C4'-C3' 108.286 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.403 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 C3'-C2'-C1' 98.989 -2.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.431 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.545 4.193 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C4'-C3' 109.416 3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.15 0 O3'-P-O5' 97.835 -3.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.94 2 O4'-C4'-C3' 110.012 4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.076 1 O4'-C1'-C2' 101.121 -4.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.377 3 C5'-C4'-C3' 106.114 -5.724 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.861 3 O4'-C4'-C3' 110.628 5.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 2 O3'-P-O5' 95.165 -4.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.57 7.425 1 O3'-P-O5' 93.803 -5.367 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . 0.488 " H3'" ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 1 O4'--C4' 1.398 -4.395 0 C5'-C4'-C3' 119.75 3.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.615 0 P-O3'-C3' 123.821 3.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.015 2 P-O3'-C3' 125.895 5.162 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.758 1 O3'-P-O5' 95.919 -4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 P-O3'-C3' 122.733 2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.887 0 C5'-C4'-C3' 109.487 -3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.411 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.624 2 O4'-C4'-C3' 110.608 5.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.411 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.401 0 O4'-C4'-C3' 108.166 2.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C4'-C3' 108.546 2.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C4'-C3' 109.654 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.811 1 O3'-P-O5' 96.07 -4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 O4'-C4'-C3' 108.545 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.571 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.06 1 O4'-C4'-C3' 110.893 5.293 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.571 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.103 1 O4'-C4'-C3' 110.693 5.093 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 120.684 0.278 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -61.81 -22.86 65.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.392 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.86 -6.54 59.49 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.643 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.83 88.76 1.03 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -133.17 76.17 69.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.13 -45.7 39.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.22 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -128.75 162.26 27.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.31 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.2 mtm -136.29 158.81 43.54 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 169.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.31 136.21 46.16 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.098 0.475 . . . . 0.0 110.858 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.3 -14.76 59.28 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.665 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 41.6 t80 -74.64 122.42 87.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 CA-C-O 120.409 0.147 . . . . 0.0 110.975 -175.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -56.71 -24.63 55.98 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 122.95 2.434 . . . . 0.0 113.395 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.24 -4.97 90.02 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.307 -0.473 . . . . 0.0 112.434 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 t -126.5 -73.65 0.61 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.467 0.307 . . . . 0.0 110.788 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 45.29 38.55 3.57 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.788 0.435 . . . . 0.0 111.395 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -80.45 -179.65 7.26 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 171.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -104.46 154.76 19.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.111 0.482 . . . . 0.0 111.233 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.702 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -140.92 167.63 21.72 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.76 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -122.71 -35.04 3.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 33.3 mmtp -103.7 116.51 32.47 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.381 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.69 -42.38 16.44 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 120.618 0.247 . . . . 0.0 110.996 179.064 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.565 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -45.92 72.05 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.89 -29.43 69.32 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.662 0.268 . . . . 0.0 110.32 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.32 -39.23 65.42 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.165 169.683 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -58.23 -38.9 77.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.677 0.275 . . . . 0.0 110.37 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmt -66.33 -46.87 75.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -57.93 -35.0 70.48 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -59.24 -35.06 72.99 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.39 69.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.642 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.514 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.26 -38.85 77.73 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 58.8 m-70 -86.2 -21.31 27.54 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -26.03 35.77 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.455 0.169 . . . . 0.0 111.277 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 -20.09 33.94 Favored Glycine 0 CA--C 1.551 2.294 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.51 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.79 -10.3 51.37 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.406 0.283 . . . . 0.0 110.99 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 65.6 8.84 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 122.813 0.445 . . . . 0.0 109.856 173.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.12 127.0 12.3 Favored 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 122.37 2.047 . . . . 0.0 112.473 -173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -73.4 162.4 29.35 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 169.395 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.75 152.43 51.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -66.91 154.33 41.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.421 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.37 11.57 13.09 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.74 -15.99 63.36 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.342 0.257 . . . . 0.0 111.381 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 75.79 -45.09 0.53 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.541 0.736 . . . . 0.0 111.151 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.64 25.03 0.94 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.71 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.3 t -148.5 -76.86 0.16 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 57.61 27.18 13.81 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -69.35 150.56 47.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -103.51 151.41 22.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 111.167 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 94.5 m-85 -135.78 164.63 27.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.1 p -108.28 1.55 22.04 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.793 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.8 mtm-85 -150.35 157.45 43.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.022 0.439 . . . . 0.0 111.057 174.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.53 87.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.629 176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' CG ' ' H62' ' C' ' 141' ' ' ' DA' . 1.7 p30 -69.3 -36.49 77.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.439 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.436 HE21 ' NH2' ' A' ' 50' ' ' ARG . 61.0 mt-30 -63.69 -45.72 88.76 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.752 0.31 . . . . 0.0 110.192 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.5 tp -64.63 -47.6 77.96 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.981 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.27 -42.45 98.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 120.619 0.247 . . . . 0.0 110.999 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.99 -46.33 91.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.346 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 9.1 t60 -60.72 -41.75 95.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -53.44 -30.64 41.56 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 122.276 0.23 . . . . 0.0 111.496 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -54.95 -33.0 61.88 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.559 0.218 . . . . 0.0 110.587 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -55.8 -44.16 77.57 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -87.85 -39.02 15.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.6 p -70.44 -23.44 62.72 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.67 87.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 121.512 -0.375 . . . . 0.0 112.19 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.488 HG12 ' HD3' ' A' ' 66' ' ' PRO . 54.7 t -75.63 99.76 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.081 0.467 . . . . 0.0 110.726 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -115.84 77.88 6.85 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.979 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD3' HG12 ' A' ' 64' ' ' VAL . 83.3 Cg_endo -80.66 -20.38 7.99 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.848 2.365 . . . . 0.0 113.154 -170.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.607 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.1 m-85 -78.68 86.32 4.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -97.33 138.38 34.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.737 0.303 . . . . 0.0 110.649 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.68 133.5 52.29 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -12.64 59.2 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.96 -53.7 4.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.525 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 15.9 p -103.84 -104.28 0.3 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.172 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -164.59 11.04 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.94 120.14 9.07 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.506 -174.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -102.34 140.03 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.95 159.95 40.36 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.374 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.1 m -106.61 4.09 27.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.536 HH21 ' CE1' ' A' ' 81' ' ' HIS . 11.9 mtp180 -138.74 123.87 19.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -175.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -62.07 -28.18 69.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.283 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -66.51 -37.46 85.1 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 120.523 0.202 . . . . 0.0 111.042 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.536 ' CE1' HH21 ' A' ' 78' ' ' ARG . 3.3 m-70 -74.55 -36.56 63.1 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.854 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -66.79 -47.67 71.39 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.7 -34.37 75.65 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.263 . . . . 0.0 110.646 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 m -66.89 -49.52 65.36 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.64 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.74 -30.74 71.81 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -54.19 -40.57 67.68 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.927 0.491 . . . . 0.0 110.678 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -61.79 -23.17 66.04 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.103 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.404 HG23 ' OP1' ' B' ' 126' ' ' ' DC' . 9.7 m -57.27 -43.7 83.33 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.678 0.275 . . . . 0.0 110.713 173.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.64 -22.08 24.93 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.778 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.1 m -91.79 -6.4 51.83 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.399 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.49 12.11 44.53 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.57 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.83 103.07 6.58 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.79 82.52 54.92 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -87.48 -13.31 4.24 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.806 2.337 . . . . 0.0 113.124 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -84.13 76.3 10.09 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.749 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 t -79.29 146.06 33.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.5 t -70.35 161.09 31.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.164 0.507 . . . . 0.0 110.953 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.48 2.61 8.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.95 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -63.81 149.26 93.38 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.83 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -68.03 20.34 0.13 Allowed 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.082 2.521 . . . . 0.0 113.868 -172.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 m -164.39 25.59 0.07 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.036 0.135 . . . . 0.0 110.985 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.519 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 45.0 t -141.45 163.71 32.2 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.389 0.614 . . . . 0.0 111.496 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.2 tp-100 -163.82 36.16 0.08 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.152 169.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -71.78 147.42 47.29 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.955 175.596 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.11 142.1 49.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.199 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -128.65 162.37 27.48 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.898 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.06 -2.85 39.28 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -134.68 144.23 47.68 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.144 0.497 . . . . 0.0 110.86 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.616 ' O ' HG13 ' A' ' 113' ' ' VAL . 13.5 p -57.65 -50.2 73.95 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.601 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.45 -33.48 75.65 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -60.51 -42.57 96.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.971 -0.456 . . . . 0.0 109.911 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -68.67 -40.39 80.19 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.144 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 109' ' ' SER . 17.4 m -60.9 -41.32 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -63.81 -46.6 84.4 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.675 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -54.4 -49.38 70.06 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.605 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.84 -37.76 74.44 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.977 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -17.82 63.87 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.506 0.194 . . . . 0.0 111.079 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.1 mtp -105.61 1.0 26.96 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.906 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -171.868 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.069 0 C3'-C2'-C1' 99.747 -2.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.981 0 P-O3'-C3' 123.513 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . 0.404 ' OP1' HG23 ' A' ' 88' ' ' THR . . . . . . . . 0 O4'--C4' 1.413 -2.998 1 C3'-C2'-C1' 96.719 -4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.986 1 O3'-P-O5' 95.888 -4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.092 0 C3'-C2'-C1' 97.127 -3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.025 0 O4'-C4'-C3' 108.462 2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 5.996 0 O4'-C1'-C2' 109.593 3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-C2' 99.844 -5.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.983 1 O3'-P-O5' 95.945 -4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.93 0 O4'-C4'-C3' 108.938 3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.926 3 C5'-C4'-C3' 106.671 -5.353 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.254 0 O4'-C1'-C2' 102.513 -3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.381 -5.884 1 O4'-C4'-C3' 113.594 7.994 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.09 1 O4'-C1'-C2' 110.925 4.386 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.501 0 O4'-C4'-C3' 108.691 3.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.396 -2.719 1 P-O3'-C3' 125.919 5.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.153 1 O5'-C5'-C4' 118.217 5.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . 0.455 ' H62' ' CG ' ' A' ' 52' ' ' ASP . . . . . . . . 0 C3'--C2' 1.549 3.127 1 O4'-C4'-C3' 109.686 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.579 0 P-O3'-C3' 123.951 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.011 0 P-O3'-C3' 124.488 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.432 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 P--O3' 1.648 3.443 1 O4'-C4'-C3' 110.324 4.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.432 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.923 0 P-O3'-C3' 123.715 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 C5'-C4'-C3' 111.829 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.76 0 O4'-C1'-C2' 102.151 -3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.998 1 O4'-C4'-C3' 110.158 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 O4'-C4'-C3' 108.461 2.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.542 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.405 -3.767 0 O4'-C4'-C3' 108.493 2.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.542 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.62 2.689 0 C3'-C2'-C1' 98.948 -2.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 120.602 0.239 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -64.01 -23.68 67.43 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.681 0.277 . . . . 0.0 111.199 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.47 3.77 42.55 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.37 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -104.97 82.14 1.83 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.001 0.429 . . . . 0.0 110.643 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.88 168.06 12.16 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.99 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.51 111.92 1.29 Allowed 'Trans proline' 0 CA--C 1.548 1.218 0 C-N-CA 122.489 2.126 . . . . 0.0 113.0 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -106.99 178.86 4.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.228 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.7 mtp -136.14 156.88 48.04 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 42.1 t -90.95 137.35 32.43 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.563 171.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.13 59.6 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.383 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 t80 -79.82 132.98 59.32 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.64 -34.35 25.49 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.411 2.074 . . . . 0.0 112.654 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.64 62.21 2.34 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 39.2 t -146.5 177.56 8.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.854 0.359 . . . . 0.0 110.129 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -70.5 -24.48 62.85 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.145 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 37.1 mtmm 64.53 23.64 12.92 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 123.562 0.745 . . . . 0.0 111.741 171.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -141.86 142.26 33.11 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.838 ' CD2' HD23 ' A' ' 24' ' ' LEU . 37.2 m-85 -145.01 170.23 16.56 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.68 -12.31 8.89 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB3' ' CG ' ' A' ' 23' ' ' HIS . 11.1 tppt? -131.81 132.54 43.83 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.261 0.224 . . . . 0.0 110.628 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -52.9 -53.14 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -67.91 -46.03 72.71 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.65 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.99 -30.16 71.13 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.36 -177.341 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.37 -40.69 64.16 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.378 170.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -58.25 -41.19 83.67 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.654 0.264 . . . . 0.0 110.397 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -44.74 79.09 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 36.5 t60 -57.93 -39.8 78.89 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 120.768 0.318 . . . . 0.0 110.7 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.24 -34.93 72.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.537 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -55.84 -38.48 70.11 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.69 -33.66 71.88 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.412 0.149 . . . . 0.0 111.169 -177.234 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.1 m-70 -79.5 -20.85 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -175.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -48.69 -33.0 9.29 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.69 0.82 59.61 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.662 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -103.13 3.52 35.96 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.749 0.275 . . . . 0.0 111.14 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -113.95 83.0 7.28 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 170.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.18 171.51 18.16 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.853 2.369 . . . . 0.0 113.308 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -137.01 176.0 9.1 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.519 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.7 157.7 44.22 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.648 0.261 . . . . 0.0 110.483 170.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -68.92 146.52 52.72 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 170.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.28 -9.92 46.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.039 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 14.9 t80 -72.51 109.95 6.55 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.92 0.391 . . . . 0.0 109.949 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -68.17 -13.17 62.03 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.088 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.0 -1.65 58.21 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.93 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 3.6 t -118.32 -66.34 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 52.8 32.42 12.24 Favored 'General case' 0 CA--C 1.561 1.397 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -72.07 155.26 40.49 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.098 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -113.52 145.81 40.62 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 98.8 m-85 -127.65 164.64 21.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.505 -176.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.2 p -105.16 -25.98 12.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.425 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -128.99 149.83 50.66 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.862 0.363 . . . . 0.0 110.768 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.1 t -61.48 -39.46 91.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -67.96 -33.84 75.42 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.56 -44.95 96.1 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.799 0.333 . . . . 0.0 110.277 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.86 -46.31 75.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.037 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -61.75 -41.19 97.35 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.431 0.158 . . . . 0.0 110.858 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -60.63 -47.49 86.01 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.721 0.296 . . . . 0.0 110.309 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 19.8 t60 -60.78 -41.75 96.19 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -53.44 -29.8 37.35 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 122.657 0.383 . . . . 0.0 111.508 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -55.01 -32.85 62.13 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 120.551 0.215 . . . . 0.0 110.685 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -55.67 -38.15 69.23 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.762 0.425 . . . . 0.0 111.542 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -99.04 -38.43 8.96 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.594 0.235 . . . . 0.0 111.235 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.8 p -72.23 -28.88 63.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.68 1.2 83.27 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.762 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.1 110.78 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.133 0.492 . . . . 0.0 110.713 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -114.92 83.47 9.47 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.13 -17.71 13.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.529 2.153 . . . . 0.0 113.408 -170.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.595 ' HB3' HD13 ' A' ' 82' ' ' LEU . 91.9 m-85 -87.67 89.21 7.91 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -98.66 130.02 45.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.718 0.295 . . . . 0.0 111.014 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.31 128.56 36.88 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.269 170.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mmpt? -80.1 -4.84 54.48 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.1 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -68.23 0.8 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.431 0.292 . . . . 0.0 110.665 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.46 -4.09 55.92 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.39 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 69.69 12.89 8.14 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.846 0.459 . . . . 0.0 111.517 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -70.79 147.5 48.87 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 120.604 0.24 . . . . 0.0 110.721 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -114.13 127.9 56.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.844 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -121.11 160.7 23.15 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.462 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.8 p -107.33 0.67 23.22 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -139.52 129.38 24.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 p -61.9 -33.47 74.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.32 -35.49 80.51 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -76.3 -37.12 57.91 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.883 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.92 -45.53 85.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.467 0.175 . . . . 0.0 110.558 176.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.66 -34.38 78.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.56 0.219 . . . . 0.0 110.612 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.9 m -65.3 -49.41 69.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.498 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.442 ' O ' ' HB ' ' A' ' 88' ' ' THR . 31.6 t60 -64.42 -31.16 72.25 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 177.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -55.71 -41.22 73.51 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.585 0.231 . . . . 0.0 110.503 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -63.08 -25.41 68.35 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.178 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 38.3 m -66.25 -37.16 84.85 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.341 0.115 . . . . 0.0 110.76 174.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -82.04 -22.36 36.47 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 0.0 110.721 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.3 m -91.87 -6.2 51.95 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.147 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.98 16.85 49.58 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 121.408 -0.425 . . . . 0.0 112.346 -175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -81.09 116.75 21.17 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 -172.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -126.92 83.84 64.78 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.35 -18.7 3.94 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.655 2.236 . . . . 0.0 112.924 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.8 m-85 -80.54 77.87 7.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.921 0.391 . . . . 0.0 110.702 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.7 m -78.83 140.77 38.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' A' ' 112' ' ' LEU . 12.2 t -70.34 148.32 48.59 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.893 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.3 -11.64 45.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.943 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -74.46 132.77 78.12 Favored Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.01 -47.88 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.58 2.187 . . . . 0.0 112.339 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -76.52 54.09 0.91 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.636 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.77 -84.02 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 53.97 30.7 12.16 Favored 'General case' 0 CA--C 1.562 1.412 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.678 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -70.98 154.85 41.47 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -128.43 127.6 42.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 111.037 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.68 162.62 16.03 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.976 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.54 0.28 41.99 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.223 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -137.06 137.92 39.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 110.609 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.8 p -57.12 -46.8 82.33 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.89 -33.72 75.89 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.585 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -60.72 -44.34 96.72 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 174.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 97' ' ' CYS . 52.2 tp -68.44 -37.82 80.58 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.112 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.3 t -58.23 -47.41 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.182 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.29 -46.45 90.28 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.48 -49.82 69.23 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.877 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -57.22 -37.28 72.0 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.574 0.226 . . . . 0.0 110.865 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -15.66 63.66 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.096 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -114.2 7.7 16.65 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.96 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.014 -173.883 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.285 0 O5'-C5'-C4' 105.488 -3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.075 0 C4'-C3'-O3' 104.31 -2.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C1'-O4'-C4' 104.601 -3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.719 0 O4'-C4'-C3' 108.334 2.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 0 P-O3'-C3' 122.96 2.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.551 5.014 0 C5'-C4'-O4' 106.029 -2.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.338 2 P-O3'-C3' 124.98 4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.177 0 O4'-C4'-C3' 108.606 3.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.753 0 O4'-C4'-C3' 109.377 3.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.231 1 O3'-P-O5' 94.937 -4.77 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.659 6.62 3 C5'-C4'-O4' 117.369 4.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.833 1 C5'-C4'-C3' 108.382 -4.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.379 1 P-O3'-C3' 124.668 4.14 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.498 1 O3'-P-O5' 95.158 -4.654 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.324 0 C4'-C3'-C2' 100.107 -3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.733 1 P-O3'-C3' 125.878 5.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.387 -5.354 2 P-O3'-C3' 127.554 6.545 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 P-O3'-C3' 124.015 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.377 -3.309 0 P-O3'-C3' 123.433 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 C2'-C3'-O3' 119.23 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.41 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 1 P--O3' 1.659 4.341 2 O5'-C5'-C4' 116.217 4.298 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.41 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 C5'-C4'-C3' 106.807 -5.262 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.361 0 O4'-C4'-C3' 108.26 2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.074 0 O3'-P-O5' 96.472 -3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.213 1 O4'-C4'-C3' 110.026 4.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.029 0 O4'-C4'-C3' 108.803 3.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.606 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C4'-C3' 108.876 3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.606 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.172 0 O4'-C4'-C3' 109.243 3.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.003 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -168.36 167.67 11.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.636 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.64 -49.0 79.12 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.649 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -103.04 164.6 11.52 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 119.56 61.89 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.493 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.479 ' HB3' HH21 ' A' ' 17' ' ' ARG . 52.0 Cg_endo -85.36 -172.56 1.18 Allowed 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.959 2.439 . . . . 0.0 112.645 -175.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -120.37 167.45 12.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 158.61 44.04 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 169.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 13.6 t -78.66 145.79 34.41 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.927 0.394 . . . . 0.0 110.622 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.56 -1.77 55.06 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.811 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -75.21 124.86 89.48 Favored Pre-proline 0 CA--C 1.555 1.15 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.9 -28.39 58.53 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.917 2.411 . . . . 0.0 113.539 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.31 -3.79 86.74 Favored Glycine 0 CA--C 1.544 1.886 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.538 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.8 t -115.4 -81.36 0.61 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.611 0.364 . . . . 0.0 110.68 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.54 21.1 9.6 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.609 0.364 . . . . 0.0 111.061 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -81.78 162.61 22.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 120.619 0.247 . . . . 0.0 110.508 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.479 HH21 ' HB3' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -98.7 158.78 15.39 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.277 0.561 . . . . 0.0 111.731 -171.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.756 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.7 m-85 -144.88 170.18 16.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.895 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.25 -44.69 2.87 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.269 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 26.4 mtmm -95.29 121.1 36.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.589 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -50.8 -43.69 58.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.669 0.271 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.26 -46.08 71.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.681 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.11 -29.45 70.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.577 0.227 . . . . 0.0 110.478 -177.703 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.16 -40.38 64.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 170.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -38.46 76.22 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.712 0.292 . . . . 0.0 110.303 176.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -45.24 76.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 173.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -58.06 -45.39 87.16 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.194 -0.316 . . . . 0.0 110.638 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -59.23 -33.05 70.53 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.896 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.38 -37.89 68.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.568 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.25 -36.72 68.86 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.583 0.23 . . . . 0.0 111.148 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -71.42 -20.84 62.06 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -54.26 -20.16 6.57 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.32 16.81 57.68 Favored Glycine 0 CA--C 1.548 2.136 0 C-N-CA 121.674 -0.298 . . . . 0.0 112.486 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.28 20.98 6.75 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.446 0.298 . . . . 0.0 111.072 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HE2' " H3'" ' C' ' 138' ' ' ' DC' . 62.1 mttp -111.75 94.68 24.99 Favored Pre-proline 0 N--CA 1.475 0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.623 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.45 78.5 2.69 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.782 2.321 . . . . 0.0 112.496 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 54' ' ' LEU . 88.6 m-85 -71.05 165.96 22.39 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.087 169.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -132.47 148.11 52.39 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.586 0.232 . . . . 0.0 110.599 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -65.94 148.84 51.17 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 169.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -93.28 -12.58 29.76 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.148 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -69.18 115.58 8.63 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.782 0.325 . . . . 0.0 110.229 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -59.98 -30.44 69.12 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.96 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.93 9.23 10.48 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.513 0.197 . . . . 0.0 111.182 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.2 -74.07 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.532 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 48.12 34.05 4.04 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.616 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -78.8 155.72 29.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.786 0.327 . . . . 0.0 110.302 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.78 143.23 35.17 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 92.2 m-85 -129.62 139.36 51.46 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -82.75 -5.65 59.01 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -170.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -145.55 153.14 40.77 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 t -58.01 -42.05 84.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.803 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.04 -42.6 98.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.144 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.76 -49.73 75.24 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.707 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 37' ' ' TYR . 34.1 tp -62.31 -46.11 90.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.814 177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -59.46 -45.44 91.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.484 0.314 . . . . 0.0 111.055 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -62.0 -47.43 84.81 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.752 0.31 . . . . 0.0 110.266 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 18.0 t60 -60.67 -39.61 89.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -53.19 -36.7 61.23 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.621 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -33.1 61.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.005 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.58 -38.59 69.57 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.563 0.345 . . . . 0.0 111.135 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -83.77 -24.36 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.174 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -74.33 -32.4 62.8 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.505 0.193 . . . . 0.0 110.94 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.82 -7.33 42.8 Favored Glycine 0 CA--C 1.547 2.04 0 C-N-CA 121.646 -0.312 . . . . 0.0 112.601 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.79 132.48 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.845 0.355 . . . . 0.0 110.749 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -126.76 86.24 59.06 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.31 -19.68 6.47 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.724 2.283 . . . . 0.0 113.135 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.0 m-85 -82.31 88.37 6.54 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.49 135.81 34.38 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.685 0.278 . . . . 0.0 110.867 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.92 139.7 58.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.088 0.47 . . . . 0.0 110.565 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.497 ' H ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.01 -21.67 63.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 175.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -74.74 0.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -170.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -86.41 -6.22 58.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.324 0.25 . . . . 0.0 111.344 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 65.53 19.87 11.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 122.745 0.418 . . . . 0.0 111.418 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -66.12 135.46 54.61 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.44 137.63 42.03 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.86 160.56 32.24 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.395 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -105.72 1.5 27.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -138.18 133.31 33.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -67.06 -33.7 76.07 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.04 -35.49 80.68 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.963 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.6 m-70 -68.8 -42.71 76.94 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.649 173.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.12 -47.56 76.7 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.401 0.144 . . . . 0.0 110.843 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.2 -36.18 79.19 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.67 0.271 . . . . 0.0 110.665 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 m -66.88 -49.66 64.93 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.69 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -63.32 -32.43 73.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.8 m -54.22 -41.15 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.629 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -63.65 -23.11 67.24 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.593 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 p -62.84 -25.96 68.52 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 120.55 0.214 . . . . 0.0 110.734 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -93.9 -28.81 15.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.199 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.71 -6.35 52.15 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.12 10.91 43.15 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.545 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -70.87 97.21 1.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -123.51 80.89 54.06 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.05 -16.09 10.07 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.633 2.222 . . . . 0.0 113.133 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.69 76.55 9.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.951 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.8 p -79.39 137.47 37.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.33 133.87 47.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.378 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -105.65 8.45 33.11 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.194 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -58.61 146.39 73.93 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.3 26.93 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.36 0 C-N-CA 123.075 2.516 . . . . 0.0 112.918 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 m -162.17 24.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.615 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.1 t -140.48 170.57 15.54 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.099 0.476 . . . . 0.0 111.186 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.447 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.0 tp-100 -166.53 27.29 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.438 173.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.93 151.78 38.86 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -128.49 129.74 46.5 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -118.09 160.72 21.05 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.988 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.52 -2.77 35.01 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -131.95 139.57 48.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.669 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.625 ' O ' HG13 ' A' ' 113' ' ' VAL . 31.9 t -57.13 -47.47 81.05 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.59 -33.36 75.73 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.583 0.353 . . . . 0.0 111.857 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.48 -40.99 93.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.834 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -69.77 -40.55 76.0 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.172 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 109' ' ' SER . 21.4 m -60.13 -41.55 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.54 -46.52 79.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.664 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.38 -45.03 80.72 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.643 0.258 . . . . 0.0 111.015 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.76 -34.22 69.32 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.0 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -72.41 -15.65 61.84 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.243 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.0 mtt -75.34 -19.0 59.86 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 120.407 0.146 . . . . 0.0 110.918 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 . . . . . 0 C--N 1.347 0.497 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 177.624 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 0 C5'-C4'-C3' 110.111 -3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C4'-C3' 108.083 2.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.082 0 C3'-C2'-C1' 97.504 -3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.992 0 O3'-P-O5' 97.394 -3.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 0 C2'-C3'-O3' 116.524 2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.448 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.295 0 P-O3'-C3' 122.844 2.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 3 O4'-C4'-C3' 111.155 5.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 2 O4'-C4'-C3' 110.427 4.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.771 0 P-O3'-C3' 123.281 2.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.86 0 O4'-C4'-C3' 109.003 3.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.37 -6.89 1 C3'-C2'-C1' 96.538 -4.401 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.128 2 O5'-C5'-C4' 103.524 -4.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.377 -6.276 1 O4'-C4'-C3' 109.781 4.181 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.626 1.576 1 O3'-P-O5' 94.315 -5.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . 0.49 " H3'" ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 2 O4'--C4' 1.391 -5.005 0 O4'-C1'-C2' 109.593 3.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 P-O3'-C3' 124.956 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.654 6.092 1 O5'-C5'-C4' 119.483 6.631 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.221 0 P-O3'-C3' 123.561 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.704 0 O4'-C4'-C3' 108.743 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O3'-P-O5' 97.132 -3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.534 1 C5'-C4'-C3' 107.943 -4.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 0 O4'-C4'-C3' 109.43 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.545 4.227 0 P-O3'-C3' 123.552 3.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C4'-C3' 109.401 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.923 1 O4'-C4'-C3' 110.177 4.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 O4'-C4'-C3' 109.023 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.495 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O5' 1.613 1.988 2 O4'-C4'-C3' 111.342 5.742 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.495 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.628 3.54 0 O4'-C4'-C3' 108.174 2.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.576 0.227 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 p -62.68 -31.24 72.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.208 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.22 -8.0 53.88 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.276 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -125.27 19.95 8.16 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -63.07 151.43 86.3 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.71 168.53 23.47 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.584 2.189 . . . . 0.0 112.143 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -90.64 174.56 7.44 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.443 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.411 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 83.7 mtp -136.06 158.82 43.49 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.052 0.453 . . . . 0.0 111.52 -177.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.43 155.84 21.65 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.107 169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.13 5.75 20.3 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.732 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 13.4 t80 -97.21 125.46 45.61 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.608 0.242 . . . . 0.0 110.81 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -71.51 83.66 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.635 2.223 . . . . 0.0 112.261 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.46 -17.44 0.43 Allowed Glycine 0 CA--C 1.539 1.587 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.342 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 28.9 t -88.65 -171.75 3.45 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.205 0.526 . . . . 0.0 110.959 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 8.5 m-80 -61.19 -36.23 79.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.171 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.65 6.35 5.79 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.778 0.431 . . . . 0.0 110.966 -174.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 34.1 mmt180 -146.34 144.49 29.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.759 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.733 ' CD1' HD23 ' A' ' 24' ' ' LEU . 32.6 m-85 -144.81 169.99 16.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.291 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -117.44 -15.76 10.27 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 40.4 mmtm -131.14 123.88 29.52 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.689 0.281 . . . . 0.0 110.621 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.3 tp -49.03 -49.12 42.69 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 p -68.11 -46.03 72.07 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.013 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.18 -30.76 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 -177.761 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.42 -39.04 65.34 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.151 170.124 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -43.62 87.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -45.34 93.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 38.0 t60 -57.79 -34.1 69.24 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.612 0.244 . . . . 0.0 111.161 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -58.71 -34.39 71.27 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -54.76 -38.13 66.84 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.506 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 37.8 ttpt -56.41 -47.52 78.85 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.799 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.7 m-70 -89.87 -21.43 22.53 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -14.49 41.42 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.485 0.183 . . . . 0.0 111.087 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.41 5.06 33.24 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 116.411 -0.358 . . . . 0.0 112.412 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.12 -46.26 3.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.457 0.303 . . . . 0.0 110.872 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.24 90.77 25.45 Favored Pre-proline 0 N--CA 1.472 0.651 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.74 162.29 29.97 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.566 2.178 . . . . 0.0 112.59 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.02 171.33 10.82 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.708 169.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -132.47 152.0 51.69 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 t -54.87 134.29 48.21 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -99.29 9.77 42.71 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.41 163.18 21.4 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.065 0.46 . . . . 0.0 111.137 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -69.05 -27.67 65.85 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.422 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -140.57 71.55 1.37 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 120.892 0.377 . . . . 0.0 110.726 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.8 170.83 21.18 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.382 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -157.29 28.51 0.29 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.712 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -83.92 154.62 23.28 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -123.27 150.72 43.15 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 90.6 m-85 -132.45 164.69 26.0 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.603 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -104.65 -1.92 25.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.583 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -153.96 152.98 31.19 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 t -57.75 -34.14 69.22 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.002 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.0 -42.53 80.57 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.975 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.53 -42.94 99.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 110.382 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.3 tp -64.18 -47.88 78.12 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.036 176.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -63.32 -39.4 94.45 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 120.396 0.141 . . . . 0.0 111.068 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -58.89 -45.92 89.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 171.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.6 t60 -60.65 -41.43 94.96 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.74 -38.44 64.38 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.162 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -57.67 -33.25 68.14 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 122.429 -0.17 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -62.69 -38.13 89.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.466 0.175 . . . . 0.0 111.106 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -81.2 -39.85 24.77 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.9 p -80.01 -21.82 43.15 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.28 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.76 10.62 86.03 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 121.489 -0.386 . . . . 0.0 112.313 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 66' ' ' PRO . 51.9 t -70.42 102.28 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.939 0.4 . . . . 0.0 110.799 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -119.75 81.05 25.04 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 64' ' ' VAL . 84.9 Cg_endo -81.22 -19.58 7.87 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.701 2.267 . . . . 0.0 113.042 -171.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.645 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.5 m-85 -80.08 75.22 6.84 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.685 0.278 . . . . 0.0 110.545 -178.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -91.12 129.81 37.08 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.941 0.4 . . . . 0.0 111.298 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.71 129.35 39.48 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.754 173.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -90.49 -5.21 56.31 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 176.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -48.89 12.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 174.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 24.3 p -108.32 -104.38 0.36 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 171.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -163.0 6.39 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 175.097 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -62.12 120.04 10.11 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.661 -170.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -97.87 122.55 41.12 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 157.39 23.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 p -106.21 0.81 25.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.572 HH21 ' CE1' ' A' ' 81' ' ' HIS . 21.7 mtm180 -137.64 129.12 28.15 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.636 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 p -62.29 -26.99 68.71 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.284 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.76 -36.01 79.74 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.632 0.253 . . . . 0.0 111.132 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.572 ' CE1' HH21 ' A' ' 78' ' ' ARG . 3.5 m-70 -76.81 -37.79 55.08 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.669 175.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.35 0.119 . . . . 0.0 110.716 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.92 -40.07 94.21 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.692 0.282 . . . . 0.0 110.625 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.0 m -61.77 -49.7 75.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.571 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -65.11 -34.73 79.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -57.72 -41.58 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.434 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -71.8 -22.87 61.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.791 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -30.1 71.05 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.775 170.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -89.59 -18.67 26.12 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.561 0.219 . . . . 0.0 110.809 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -95.41 -6.14 41.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.163 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.8 2.03 34.95 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.794 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.56 105.68 3.2 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.903 0.383 . . . . 0.0 111.032 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.84 85.71 45.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.06 -9.21 7.5 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.707 2.271 . . . . 0.0 113.347 -173.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.2 m-85 -90.44 79.14 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 t -78.73 145.98 34.15 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.678 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.424 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.3 t -70.29 161.26 30.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 171.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -127.54 8.05 6.4 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -67.32 148.37 98.74 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.696 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.68 33.36 0.37 Allowed 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.216 2.611 . . . . 0.0 113.131 -172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.4 p -164.47 7.94 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.389 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 17.7 t -101.62 171.52 7.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.423 0.63 . . . . 0.0 111.639 -171.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.473 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.93 22.7 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.041 -178.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -102.61 146.96 27.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.589 -173.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -128.56 149.58 50.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.008 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.82 162.24 27.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.667 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.58 -3.0 40.48 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -134.02 141.54 47.27 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.831 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 17.9 p -57.19 -48.49 78.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.431 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.02 -33.5 75.89 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.665 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.69 -44.34 96.67 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.0 tp -65.61 -39.39 91.46 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.991 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.28 -45.07 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.28 -46.69 87.65 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.526 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -54.45 -50.02 68.69 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.51 0.195 . . . . 0.0 110.75 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -56.69 -38.63 72.53 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.886 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -17.96 63.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.109 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -107.04 3.42 25.9 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 122.411 0.284 . . . . 0.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.343 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.051 -172.249 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.22 0 C3'-C2'-C1' 98.971 -2.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 O4'-C4'-C3' 109.128 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.663 4.661 2 C3'-C2'-C1' 94.944 -5.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.816 1 P-O3'-C3' 124.576 4.063 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.444 ' C8 ' ' NE2' ' A' ' 81' ' ' HIS . . . . . . . . 2 C5'--C4' 1.57 7.414 1 O4'-C1'-C2' 93.663 -11.307 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.49 -2.23 0 O4'-C1'-C2' 101.708 -3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 0 O4'-C1'-C2' 102.161 -3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.56 3.154 0 P-O3'-C3' 121.913 1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.892 2 O4'-C4'-C3' 110.469 4.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.601 2 O3'-P-O5' 92.608 -5.996 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.42 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.407 -3.519 1 O3'-P-O5' 89.657 -7.549 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.42 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.559 2 O4'-C1'-C2' 101.29 -4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 6.023 1 P-O3'-C3' 125.514 4.845 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 O4'-C4'-C3' 109.432 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.525 1 O5'-C5'-C4' 116.105 4.218 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.645 3.132 2 P-O3'-C3' 125.129 4.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.343 2 P-O3'-C3' 127.674 6.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.134 0 O4'-C4'-C3' 109.443 3.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.492 0 P-O3'-C3' 124.12 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.471 H2'' " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 1 C3'--C2' 1.561 4.253 2 O4'-C4'-C3' 112.168 6.568 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.471 " H5'" H2'' ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O3' 1.651 3.626 0 O4'-C4'-C3' 109.491 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 2 O4'-C4'-C3' 111.351 5.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.32 1 P-O3'-C3' 126.275 5.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.567 7.005 0 O3'-P-O5' 96.814 -3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.073 3 O4'-C4'-C3' 110.75 5.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.303 0 O4'-C4'-C3' 107.938 2.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.563 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.66 2 O4'-C4'-C3' 112.266 6.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.563 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O3' 1.633 2.152 0 O4'-C4'-C3' 108.651 3.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -61.03 -24.53 66.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.659 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.71 -9.03 59.55 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.72 10.58 5.13 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -66.72 161.99 55.63 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.18 124.04 10.92 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.138 1.892 . . . . 0.0 112.077 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 92.1 m-85 -111.57 160.83 16.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.6 mtp -136.4 157.0 47.83 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.296 169.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.0 t -76.63 151.85 36.06 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.148 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.53 -1.22 38.87 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.673 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.42 125.43 82.99 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-O 120.423 0.154 . . . . 0.0 110.743 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.89 -26.34 57.36 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 122.802 2.335 . . . . 0.0 113.484 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.64 1.45 85.59 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.649 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -133.09 -80.89 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.43 0.292 . . . . 0.0 110.608 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 51.76 32.21 9.19 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.313 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.86 168.5 16.04 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.378 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 159.12 15.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.317 0.579 . . . . 0.0 111.621 -172.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.722 ' CD2' HD23 ' A' ' 24' ' ' LEU . 71.2 m-85 -142.79 170.15 16.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.973 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -121.63 -46.36 2.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.301 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -91.9 117.62 29.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.416 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.0 pt? -50.66 -41.89 55.96 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.043 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 p -68.08 -45.91 72.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.638 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -30.85 71.9 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.569 0.223 . . . . 0.0 110.426 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.722 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.12 -39.75 65.51 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 169.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -58.07 -39.29 78.14 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.41 81.45 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.763 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -57.94 -37.47 74.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.724 0.297 . . . . 0.0 110.584 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.08 -34.68 72.26 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.746 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -55.44 -38.38 68.94 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.525 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -56.25 -43.97 79.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 44.5 m-70 -76.31 -21.3 56.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.678 -172.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.2 p -57.14 -26.85 61.22 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.465 0.174 . . . . 0.0 111.021 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.22 11.24 58.49 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.477 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -121.58 2.99 10.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.365 0.266 . . . . 0.0 111.415 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -69.81 112.88 13.74 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -75.96 120.29 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.497 ' HB3' HD22 ' A' ' 54' ' ' LEU . 86.6 m-85 -127.4 158.42 37.37 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 170.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -132.6 157.72 44.05 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.735 0.303 . . . . 0.0 110.698 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.47 148.79 35.18 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.023 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.13 -15.09 29.98 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' A' ' 61' ' ' HIS . 3.6 m-85 -67.98 126.34 29.16 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.68 66.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.088 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.71 -5.5 56.96 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 45.4 t -104.68 -77.37 0.58 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.637 0.256 . . . . 0.0 110.578 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 51.01 34.13 10.18 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 122.854 0.461 . . . . 0.0 111.71 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.69 169.57 11.55 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 170.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 150.4 51.68 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 111.046 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -135.45 161.35 35.7 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.284 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 p -107.42 4.94 26.81 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -174.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.98 147.96 27.8 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.984 0.421 . . . . 0.0 110.875 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -42.55 77.37 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -63.06 -39.77 95.72 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.31 -49.42 77.11 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 37' ' ' TYR . 48.0 tp -63.49 -40.45 97.11 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -65.62 -44.16 87.36 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.494 0.318 . . . . 0.0 111.282 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -61.64 -43.32 99.07 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.65 -36.4 78.59 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.242 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -53.08 -33.53 52.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.284 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -54.94 -33.12 61.93 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 120.421 0.153 . . . . 0.0 110.626 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -62.61 -33.63 75.4 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.496 0.318 . . . . 0.0 111.658 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.49 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.7 m80 -82.83 -44.07 15.91 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -81.25 -22.95 38.35 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.418 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 0.55 28.73 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 121.539 -0.362 . . . . 0.0 112.305 -175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.24 127.3 30.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -124.37 87.17 54.25 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.52 -16.87 9.07 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.522 2.148 . . . . 0.0 112.972 -170.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.598 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.4 m-85 -90.0 90.39 8.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.576 0.226 . . . . 0.0 110.414 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.33 141.44 28.76 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.65 146.17 55.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -79.25 -14.95 58.71 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -75.0 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -172.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -83.4 -6.63 59.52 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.615 0.245 . . . . 0.0 111.35 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 65.05 16.09 10.37 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.738 0.415 . . . . 0.0 111.374 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -68.86 141.33 55.12 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -99.23 139.92 34.16 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.061 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -130.49 155.07 47.08 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.12 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 p -98.17 -8.95 26.53 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.627 -174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.593 HH21 ' CE1' ' A' ' 81' ' ' HIS . 25.7 mtm180 -135.21 137.02 42.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 p -61.96 -31.53 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.166 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -66.84 -36.47 82.4 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.164 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.593 ' CE1' HH21 ' A' ' 78' ' ' ARG . 4.9 m-70 -77.04 -34.75 57.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.893 176.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -65.6 -47.72 74.75 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.569 0.223 . . . . 0.0 110.535 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -34.34 76.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.541 0.21 . . . . 0.0 110.539 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -66.53 -49.48 66.37 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.754 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -65.55 -29.89 70.57 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.007 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -54.33 -41.27 68.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.492 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.99 -26.69 68.37 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.114 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -65.28 -37.2 86.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.482 0.182 . . . . 0.0 110.806 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -84.76 -20.36 31.18 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.805 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.194 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 18.35 55.38 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 121.41 -0.424 . . . . 0.0 112.358 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.88 104.96 15.29 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.87 81.43 49.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.61 -20.98 4.44 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.663 2.242 . . . . 0.0 112.924 -175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -78.66 77.44 5.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.028 0.442 . . . . 0.0 110.725 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 m -80.36 146.04 31.73 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.3 t -71.75 161.25 31.26 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.146 0.498 . . . . 0.0 110.927 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.26 0.29 10.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.982 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -65.08 156.3 81.2 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 120.915 0.388 . . . . 0.0 111.006 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.02 122.95 11.96 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t 66.35 19.02 10.98 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.909 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.9 t -86.37 170.63 11.84 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.827 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -164.6 21.86 0.06 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.459 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -89.34 139.92 30.02 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 -175.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -128.55 148.57 50.77 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -134.29 159.07 42.12 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.905 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.56 -2.04 45.8 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -132.22 141.13 48.93 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.147 0.499 . . . . 0.0 110.847 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.5 p -57.26 -47.58 81.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.659 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.409 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.65 -41.44 95.0 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 173.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.9 tp -67.26 -41.07 86.17 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.922 175.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.19 -43.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.156 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.57 -46.62 87.49 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -54.49 -50.09 68.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -56.6 -39.18 73.13 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.847 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -15.59 63.24 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.518 0.199 . . . . 0.0 111.174 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.8 mtt -111.89 4.76 18.5 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.417 0.287 . . . . 0.0 110.915 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.709 0.29 . . . . 0.0 110.977 -173.162 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.919 0 C5'-C4'-C3' 110.859 -2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 C4'-C3'-C2' 105.824 2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.558 3.984 0 C3'-C2'-C1' 97.27 -3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 128' ' ' ' DG' . . . . . . . . 2 P--O5' 1.669 7.649 0 C1'-O4'-C4' 114.368 3.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 127' ' ' ' DG' . . . . . . . . 2 O4'--C4' 1.378 -6.158 1 C3'-C2'-C1' 94.289 -6.008 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.56 6.143 3 C3'-C2'-C1' 93.217 -6.774 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.3 3 O4'-C4'-C3' 116.083 10.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.733 2 C4'-C3'-C2' 98.559 -4.641 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.398 -2.64 1 O4'-C4'-C3' 110.383 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.544 0 C5'-C4'-C3' 108.885 -3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.363 -5.203 5 O4'-C4'-C3' 112.157 6.557 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.136 0 C4'-C3'-C2' 99.701 -3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.855 0 P-O3'-C3' 123.283 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.039 1 P-O3'-C3' 124.73 4.192 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O5'-C5'-C4' 113.642 2.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.567 1 P-O3'-C3' 125.675 4.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.399 1 P-O3'-C3' 125.865 5.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.533 1 O4'-C4'-C3' 109.993 4.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.131 0 C5'-C4'-O4' 103.727 -3.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 1 O4'-C4'-C3' 109.802 4.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.441 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.099 2 O4'-C4'-C3' 110.739 5.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.441 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.72 0 O5'-C5'-C4' 114.584 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 1 O3'-P-O5' 96.118 -4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.719 1 O4'-C1'-C2' 100.738 -4.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C4'-C3' 109.044 3.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 P-O3'-C3' 124.331 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.527 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C4'-C3' 110.246 4.646 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.527 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.617 2.43 1 O4'-C4'-C3' 110.103 4.503 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 120.692 0.282 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -158.45 12.67 0.18 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.335 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -82.07 -8.84 59.68 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.692 0.282 . . . . 0.0 110.937 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -137.04 -172.71 3.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.971 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -128.3 66.3 72.76 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.44 -45.23 41.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 122.0 1.8 . . . . 0.0 110.967 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -131.91 168.41 17.92 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.852 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -136.39 158.65 43.92 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.8 t -108.65 135.82 49.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.68 59.53 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.705 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 36.5 t80 -72.71 126.7 90.58 Favored Pre-proline 0 CA--C 1.554 1.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.689 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.46 -12.17 31.12 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.722 2.281 . . . . 0.0 113.203 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.48 -5.55 61.68 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 121.442 -0.408 . . . . 0.0 112.413 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 48.9 t -89.12 175.62 7.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.164 0.506 . . . . 0.0 111.264 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -72.47 -24.15 61.14 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.44 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt 72.47 20.69 3.88 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.521 0.728 . . . . 0.0 111.34 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -139.04 141.02 38.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.105 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CD2' HD23 ' A' ' 24' ' ' LEU . 34.9 m-85 -144.96 170.1 16.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.974 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -113.36 -33.89 5.79 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.514 -175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 74.2 mmtt -112.48 131.17 55.71 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.725 0.297 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.766 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.47 -51.83 51.71 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.981 178.577 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.713 ' H ' HD22 ' A' ' 21' ' ' LEU . 20.7 p -68.11 -45.99 72.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.753 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.37 -30.11 71.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.29 -42.33 62.55 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.119 169.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -58.01 -39.01 77.26 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.637 0.256 . . . . 0.0 110.407 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -44.34 76.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 20.2 t60 -57.91 -38.65 76.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.816 0.341 . . . . 0.0 110.955 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -58.9 -34.4 71.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.05 64.06 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -56.07 -47.43 77.98 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.63 0.252 . . . . 0.0 110.92 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 33.9 m-70 -68.73 -20.93 64.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -172.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -59.05 -14.98 11.29 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 120.603 0.24 . . . . 0.0 111.108 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 6.64 54.35 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.377 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -133.21 6.65 3.88 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -109.44 86.49 4.39 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-O 120.605 0.241 . . . . 0.0 110.75 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.59 92.12 1.16 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.547 2.164 . . . . 0.0 113.188 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 54' ' ' LEU . 92.5 m-85 -68.6 172.48 6.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.43 155.65 48.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.627 0.251 . . . . 0.0 110.496 174.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.77 143.6 46.6 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -86.6 -8.51 57.43 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -68.6 122.7 19.04 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.859 0.362 . . . . 0.0 110.427 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -63.72 -9.41 14.14 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -169.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.7 7.67 12.59 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 122.163 0.185 . . . . 0.0 111.382 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 43.2 t -101.37 172.95 6.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.096 0.474 . . . . 0.0 111.006 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -153.1 28.8 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.61 161.22 14.67 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.916 0.389 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -142.64 145.51 33.55 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 61.4 m-85 -137.0 139.57 41.53 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.033 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -74.58 -19.18 60.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -174.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -129.8 152.98 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.039 0.447 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 p -62.59 -28.8 70.14 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.703 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -67.57 -42.9 81.84 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 120.703 0.287 . . . . 0.0 111.119 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.48 -44.73 90.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.361 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.6 tp -62.19 -43.74 98.16 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.826 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.48 -45.2 94.1 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.845 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -56.55 -47.5 79.34 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 t60 -60.55 -41.78 95.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -177.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -53.33 -38.71 63.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.981 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -56.87 -33.41 66.8 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.225 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -31.56 70.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.53 -43.26 18.99 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.493 0.187 . . . . 0.0 111.137 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -84.76 -5.89 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.0 10.21 67.93 Favored Glycine 0 CA--C 1.545 1.924 0 C-N-CA 121.669 -0.3 . . . . 0.0 112.981 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.54 114.05 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 120.824 0.345 . . . . 0.0 110.797 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -116.88 87.68 23.03 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.194 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -87.59 -19.26 2.32 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.646 2.231 . . . . 0.0 113.169 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.673 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.5 m-85 -82.6 98.96 9.27 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -97.99 135.0 40.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.8 132.7 50.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.381 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -69.73 -18.44 63.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 -73.53 0.56 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.93 -5.33 58.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 66.02 17.63 10.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.748 0.419 . . . . 0.0 111.489 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -72.4 146.32 47.08 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -109.64 138.74 45.56 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.099 0.476 . . . . 0.0 111.223 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.56 160.63 32.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.181 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 p -103.73 -0.73 29.02 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -138.73 139.4 38.35 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 110.712 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 p -66.41 -36.14 82.07 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.17 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -67.16 -35.24 79.27 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.6 m-70 -68.59 -45.4 72.09 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.566 173.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.0 tt -63.62 -47.61 80.69 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.818 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.97 -39.5 89.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.699 0.285 . . . . 0.0 110.571 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -64.72 -49.88 69.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.65 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -63.08 -38.98 93.32 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.862 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.34 -41.66 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -68.43 -22.9 64.57 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.303 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 p -59.43 -32.39 70.16 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.334 0.111 . . . . 0.0 110.797 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -78.44 -18.7 54.55 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.564 0.221 . . . . 0.0 110.944 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.0 p -96.3 -6.25 38.26 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.485 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.92 40.72 Favored Glycine 0 CA--C 1.554 2.522 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.857 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.41 103.9 2.57 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -121.1 83.69 38.73 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -85.51 -15.8 5.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.72 2.28 . . . . 0.0 112.988 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -83.59 78.32 9.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.927 0.394 . . . . 0.0 110.741 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.8 p -78.79 138.24 38.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.765 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.6 t -70.44 133.11 46.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.41 -0.7 57.67 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.522 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -67.72 122.42 83.43 Favored Pre-proline 0 CA--C 1.557 1.221 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.08 -50.91 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.75 2.3 . . . . 0.0 112.735 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -79.99 53.53 1.72 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.906 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 104' ' ' LYS . 5.0 t -168.25 -80.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 -178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 52.99 39.61 29.71 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.43 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -74.18 168.89 18.68 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 172.135 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -128.81 142.36 51.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.717 0.294 . . . . 0.0 110.918 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.03 157.82 40.63 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.37 -1.86 43.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.271 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -134.86 142.27 46.57 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.182 0.515 . . . . 0.0 110.942 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.8 p -57.27 -46.48 83.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -66.38 -33.58 76.03 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.559 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -60.63 -44.39 96.41 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 97' ' ' CYS . 63.4 tp -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.97 174.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.24 -46.39 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.41 -46.75 88.84 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.513 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -54.74 -49.28 71.18 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.42 -37.77 73.3 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.065 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -72.23 -15.7 61.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.492 0.187 . . . . 0.0 111.124 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.1 mtp -102.01 -1.67 31.28 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.019 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.599 0.238 . . . . 0.0 111.146 -171.331 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.63 0 O4'-C4'-C3' 108.804 3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 P-O3'-C3' 122.422 2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.543 0 C4'-C3'-C2' 99.862 -3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.274 1 O4'-C4'-C3' 110.205 4.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.468 0 C2'-C3'-O3' 101.431 -3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.547 4.458 0 O3'-P-O5' 97.753 -3.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.25 2 O4'-C4'-C3' 110.172 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 109.471 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.616 0 O3'-P-O5' 99.116 -2.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.4 -2.423 2 O4'-C4'-C3' 110.084 4.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 2 C5'-C4'-C3' 107.559 -4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.463 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.548 4.606 1 O4'-C1'-C2' 100.451 -5.136 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . 0.463 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 1 P--O5' 1.642 4.921 0 O5'-C5'-C4' 114.963 3.402 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.937 0 C5'-C4'-C3' 109.067 -3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.381 0 O5'-C5'-C4' 114.665 3.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.979 1 P-O3'-C3' 125.169 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 1 P-O3'-C3' 124.949 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.236 0 P-O3'-C3' 123.892 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.473 -4.452 0 O4'-C4'-C3' 108.356 2.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.593 6.451 4 C4'-C3'-C2' 94.248 -8.952 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.532 -6.111 0 O4'-C4'-C3' 109.314 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.648 3.418 1 O3'-P-O5' 94.657 -4.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 5.044 1 O4'-C4'-C3' 109.798 4.198 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.909 0 O4'-C4'-C3' 109.104 3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.418 1 O3'-P-O5' 96.24 -4.084 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 C5'-C4'-C3' 111.801 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.566 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C5'-C4'-C3' 109.646 -3.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.566 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.985 0 O4'-C4'-C3' 108.316 2.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -154.97 11.83 0.36 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -12.56 36.18 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.03 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -139.66 177.86 7.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.624 0.369 . . . . 0.0 110.37 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.66 63.31 69.36 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.333 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -53.14 -39.92 78.71 Favored 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 122.558 2.172 . . . . 0.0 112.729 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.66 154.46 47.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 120.708 0.289 . . . . 0.0 111.121 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.35 150.39 48.82 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 168.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -66.4 146.18 54.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.169 0.509 . . . . 0.0 111.304 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.91 -4.46 56.52 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.639 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -79.17 134.37 59.43 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.07 145.95 68.98 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.543 2.162 . . . . 0.0 112.204 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.42 -38.81 2.89 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.068 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 -81.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.679 0.276 . . . . 0.0 110.403 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.05 35.94 1.81 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.441 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.63 160.35 29.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 153.83 18.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.297 0.57 . . . . 0.0 111.63 -169.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -144.85 163.87 32.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.935 -175.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -115.95 -28.41 6.66 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.396 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 7.8 mmpt? -113.01 124.77 53.4 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.675 0.274 . . . . 0.0 110.666 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -49.22 43.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.902 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -67.85 -45.79 73.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.715 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.0 -31.28 72.38 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.667 0.27 . . . . 0.0 110.481 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.11 -40.76 64.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.028 170.284 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.29 -38.61 77.37 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.54 89.11 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.691 173.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -58.05 -39.33 78.16 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.288 -0.258 . . . . 0.0 110.672 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -59.24 -34.62 72.44 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.534 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -38.24 69.03 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.2 -39.24 72.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.52 0.2 . . . . 0.0 111.048 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -68.35 -21.08 64.75 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.5 p -61.29 -10.47 7.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.044 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.51 12.17 36.02 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -122.17 -50.19 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.805 0.303 . . . . 0.0 111.706 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -46.65 112.47 1.89 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 123.119 0.262 . . . . 0.0 111.572 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.89 81.91 2.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.825 2.35 . . . . 0.0 112.713 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.583 ' HB3' HD22 ' A' ' 54' ' ' LEU . 9.6 m-85 -87.63 93.07 9.32 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.52 144.4 26.06 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.747 0.308 . . . . 0.0 110.727 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 145.43 56.11 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.703 174.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -73.77 -21.49 60.17 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 13.9 m-85 -70.12 129.89 40.63 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.775 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -72.45 -12.22 61.0 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.37 -10.81 39.81 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.025 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.49 -72.95 0.58 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.745 0.307 . . . . 0.0 110.433 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 57.31 16.2 3.0 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 123.0 0.52 . . . . 0.0 111.986 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -84.87 146.28 27.38 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.06 148.24 43.82 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.46 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 43.5 m-85 -127.44 164.67 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.723 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -98.53 -7.62 27.99 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -173.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -138.98 154.35 48.27 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.942 0.401 . . . . 0.0 111.108 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.7 p -61.02 -39.94 91.68 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.139 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -68.48 -34.04 75.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.156 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.37 -45.29 66.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.515 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -60.64 -47.5 85.96 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 171.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -60.95 -41.65 96.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.105 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -60.37 -47.79 84.55 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 17.8 t60 -60.78 -40.97 94.61 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.076 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.03 -37.01 61.17 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' NH2' ' H ' ' A' ' 64' ' ' VAL . 68.2 mtp85 -55.08 -33.03 62.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -55.77 -31.7 62.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 120.478 0.18 . . . . 0.0 110.849 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 79.9 m-70 -98.03 -33.06 11.32 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.357 176.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 t -148.0 61.5 1.12 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 111.182 -169.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.35 -177.09 33.15 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.116 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.431 ' H ' ' NH2' ' A' ' 59' ' ' ARG . 26.9 m -132.19 -168.85 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 122.444 0.298 . . . . 0.0 110.542 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -114.87 83.18 9.06 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.718 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.5 -20.56 5.72 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.858 2.372 . . . . 0.0 113.115 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.551 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.5 m-85 -78.47 88.98 4.43 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -99.79 135.14 41.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.777 0.322 . . . . 0.0 111.001 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.75 131.1 45.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.473 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -69.82 -17.24 63.38 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -75.26 0.47 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.558 0.343 . . . . 0.0 111.03 -175.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.79 -5.46 55.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.223 0.209 . . . . 0.0 111.489 -173.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 68.09 20.7 8.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.849 0.459 . . . . 0.0 111.422 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.29 140.73 58.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 169.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -113.13 140.97 47.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 110.823 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -136.81 158.19 45.02 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.389 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 p -107.79 3.0 24.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -138.81 134.31 33.24 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 110.412 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -68.92 -31.83 71.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.09 -36.26 82.71 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 120.466 0.174 . . . . 0.0 110.83 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.0 m-70 -67.98 -45.3 74.54 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.67 172.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -63.13 -47.69 81.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.505 0.193 . . . . 0.0 110.82 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.92 -34.42 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 0.0 110.636 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 m -67.77 -49.59 61.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.738 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -61.67 -34.06 75.07 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.871 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 m -54.27 -41.13 68.5 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -62.03 -22.77 65.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.162 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 m -54.5 -37.36 65.22 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.66 0.267 . . . . 0.0 110.878 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -89.54 -24.31 21.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.32 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -91.63 -6.42 52.25 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.4 8.8 52.86 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.694 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.01 98.14 1.25 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.977 0.389 . . . . 0.0 110.808 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -119.93 78.51 23.93 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -83.54 -14.32 8.0 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.751 2.3 . . . . 0.0 113.14 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.05 76.65 10.23 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.853 0.359 . . . . 0.0 110.652 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 48.7 p -84.18 146.0 28.07 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.859 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.39 161.35 30.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.275 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.52 1.47 10.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.182 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -67.63 156.16 89.56 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.95 125.44 17.18 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.737 2.292 . . . . 0.0 112.359 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.8 t 62.94 20.93 12.57 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.058 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -118.84 157.14 28.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.365 0.602 . . . . 0.0 111.191 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -162.17 29.95 0.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.95 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -63.91 136.2 57.16 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 29.5 mtmt -112.08 147.99 34.86 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 111.56 -169.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -134.19 160.83 36.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.537 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.92 3.15 44.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -136.11 140.87 44.03 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.119 0.485 . . . . 0.0 110.792 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 p -57.14 -49.92 74.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.503 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.21 -33.66 75.96 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.73 -43.77 97.49 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -66.23 -40.03 89.99 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.031 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.21 -44.27 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.35 -46.66 87.66 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.645 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -54.38 -49.43 69.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.656 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.82 -39.57 74.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -72.05 -15.56 62.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.506 0.193 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -107.03 5.91 28.5 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.857 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.369 0 CA-C-O 120.72 0.295 . . . . 0.0 111.074 -173.025 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . 0.4 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 1 P--O5' 1.639 4.613 0 C5'-C4'-C3' 108.866 -3.889 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . 0.4 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.137 0 O4'-C1'-C2' 103.666 -2.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 C3'-C2'-C1' 97.429 -3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 C5'-C4'-C3' 108.947 -3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 O3'-P-O5' 99.501 -2.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.45 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.869 0 O4'-C4'-C3' 108.478 2.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 P-O3'-C3' 123.276 2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 1 C4'-C3'-C2' 99.005 -4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.846 2 O4'-C4'-C3' 112.35 6.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.511 0 O4'-C1'-C2' 102.822 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.428 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.556 5.652 4 O5'-C5'-C4' 118.523 5.945 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.428 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 3 C5'--C4' 1.573 7.788 1 P-O3'-C3' 114.61 -4.241 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.37 -4.654 2 P-O3'-C3' 129.252 7.96 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.648 5.458 1 O3'-P-O5' 95.694 -4.371 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 0 C5'-C4'-O4' 105.381 -2.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.568 3.987 1 P-O3'-C3' 125.404 4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.152 1 O5'-C5'-C4' 118.535 5.953 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 1 O4'-C4'-C3' 110.081 4.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . 0.411 " H1'" " H5'" ' C' ' 143' ' ' ' DG' . . . . . . . . 1 P--O5' 1.641 4.776 0 C4'-C3'-C2' 99.837 -3.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.444 H2'' " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 1 P--O5' 1.634 4.139 1 O4'-C4'-C3' 110.626 5.026 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.444 " H5'" H2'' ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O5' 1.62 2.746 3 O4'-C4'-C3' 110.546 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.853 0 O3'-P-O5' 98.551 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.987 1 P-O3'-C3' 124.611 4.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.114 1 O4'-C4'-C3' 110.095 4.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.823 1 O3'-P-O5' 95.993 -4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 1 O4'-C4'-C3' 109.962 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.581 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.626 1 O4'-C4'-C3' 110.06 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.581 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.012 1 O4'-C4'-C3' 109.983 4.383 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 CA-C-O 120.518 0.199 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -78.64 71.79 5.12 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.87 0.367 . . . . 0.0 110.995 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -159.41 162.65 35.79 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.974 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -51.67 -54.67 25.5 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.616 0.246 . . . . 0.0 110.577 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.19 90.25 2.47 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.332 172.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.48 -100.69 0.0 OUTLIER 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -127.4 155.9 42.9 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.708 0.289 . . . . 0.0 110.778 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -136.43 156.76 48.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.62 143.86 53.13 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.3 -4.82 56.89 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.78 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 63.4 t80 -79.09 118.27 71.51 Favored Pre-proline 0 N--CA 1.478 0.972 0 O-C-N 122.392 -0.192 . . . . 0.0 110.649 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.47 101.88 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.624 2.216 . . . . 0.0 111.973 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.02 -38.02 1.83 Allowed Glycine 0 N--CA 1.468 0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.61 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.7 t -85.91 -81.89 0.2 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.0 m120 50.64 31.84 6.22 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 169.44 18.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.103 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -98.64 151.92 20.18 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.72 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.5 m-85 -137.24 166.47 23.69 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.736 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.91 -41.33 2.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.212 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -94.26 118.71 31.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.501 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.79 -46.13 20.44 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.824 0.345 . . . . 0.0 110.817 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -67.9 -46.01 72.81 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.688 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.84 -29.49 70.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.565 0.222 . . . . 0.0 110.575 -178.053 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.13 -39.57 65.62 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.96 169.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -40.83 82.32 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.38 -48.22 82.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.776 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.04 -38.57 76.5 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.682 0.277 . . . . 0.0 110.823 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 p -59.01 -32.48 69.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -38.2 68.11 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.398 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.2 -45.74 79.71 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.576 0.227 . . . . 0.0 110.815 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.3 m-70 -76.26 -21.28 56.51 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -172.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 p -55.71 -24.53 35.09 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 120.498 0.19 . . . . 0.0 111.086 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 18.08 35.2 Favored Glycine 0 CA--C 1.541 1.69 0 CA-C-N 116.538 -0.301 . . . . 0.0 112.402 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -124.94 5.05 8.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.788 0.294 . . . . 0.0 111.381 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.37 107.45 23.69 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.59 137.05 22.17 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.398 2.066 . . . . 0.0 113.162 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' HB3' HD22 ' A' ' 54' ' ' LEU . 71.6 m-85 -129.25 165.12 22.03 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.51 150.15 52.2 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -63.55 143.91 57.44 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.66 -2.55 35.18 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.0 131.16 49.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.89 0.376 . . . . 0.0 110.3 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -72.0 4.17 3.7 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.204 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -132.4 12.29 4.55 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 122.167 0.187 . . . . 0.0 111.108 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 46.3 t -103.08 173.85 6.12 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.108 0.48 . . . . 0.0 110.815 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -160.49 28.91 0.16 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 152.66 25.51 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.157 0.503 . . . . 0.0 110.802 -173.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.05 148.01 49.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.751 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.2 m-85 -126.64 164.81 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.146 -173.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 t -108.97 7.25 25.82 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.453 -175.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -153.01 149.78 28.53 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.7 p -58.68 -41.21 85.65 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.99 -39.01 93.16 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -61.4 -49.32 77.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.64 0.257 . . . . 0.0 110.374 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -62.12 -45.4 93.65 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.96 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.97 -40.55 93.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.165 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -68.22 -41.2 81.61 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.563 0.22 . . . . 0.0 110.487 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 46.0 t60 -60.71 -37.78 82.84 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.916 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -53.34 -34.71 58.61 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.344 0.257 . . . . 0.0 111.334 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -55.06 -33.22 62.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.564 0.221 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -60.36 -31.9 70.78 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.584 0.354 . . . . 0.0 111.664 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -97.81 -36.45 10.19 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.604 0.24 . . . . 0.0 111.244 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -79.16 -31.3 43.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.08 -1.27 60.21 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 121.715 -0.278 . . . . 0.0 112.843 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.34 137.28 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-O 121.03 0.443 . . . . 0.0 110.958 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -131.05 81.48 66.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.344 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -79.17 -16.35 12.36 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.596 2.197 . . . . 0.0 113.279 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -90.11 97.83 11.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.51 137.25 41.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.127 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.9 t -65.01 138.7 58.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.81 -19.7 62.65 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -99.09 -75.38 0.56 Allowed 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.318 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.5 p -80.16 -7.37 58.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.492 0.317 . . . . 0.0 111.359 -175.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 64.25 21.25 12.47 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.406 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -71.97 141.14 49.4 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.1 142.18 40.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.061 0.458 . . . . 0.0 111.182 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.02 163.53 29.03 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 m -109.13 1.9 20.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.64 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.706 HH21 ' CE1' ' A' ' 81' ' ' HIS . 21.1 mtm180 -138.83 132.9 31.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.833 0.349 . . . . 0.0 110.617 177.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 p -63.34 -34.0 76.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.54 -38.38 90.92 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 120.652 0.263 . . . . 0.0 111.023 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.706 ' CE1' HH21 ' A' ' 78' ' ' ARG . 3.6 m-70 -74.97 -35.3 62.07 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.992 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -65.46 -47.68 75.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -61.1 -38.93 88.04 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.764 0.316 . . . . 0.0 110.469 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.2 m -64.08 -49.46 72.18 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -61.41 -36.73 81.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.92 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -54.36 -41.24 68.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.753 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.69 -22.94 67.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -60.21 -27.07 66.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.574 0.226 . . . . 0.0 110.729 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -93.53 -26.21 17.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.211 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -91.68 -6.35 52.22 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.19 10.49 41.33 Favored Glycine 0 CA--C 1.549 2.173 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.518 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.76 100.14 1.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.005 0.431 . . . . 0.0 110.799 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.29 82.41 45.69 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.503 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -84.78 -15.51 5.87 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.734 2.29 . . . . 0.0 113.003 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -85.98 79.62 9.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -83.75 143.73 29.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.6 t -70.35 157.71 37.27 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.087 169.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -135.54 16.18 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.189 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -56.78 153.22 23.17 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.531 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.48 22.67 0.23 Allowed 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 122.934 2.422 . . . . 0.0 113.179 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -163.22 27.73 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.707 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.2 t -143.26 164.64 29.66 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.239 0.542 . . . . 0.0 111.608 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.64 27.42 0.1 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.019 170.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -73.69 154.83 39.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.165 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.54 148.22 50.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.032 0.444 . . . . 0.0 111.56 -170.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -133.41 159.09 41.36 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.583 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.3 2.14 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -135.49 141.59 45.33 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.155 0.502 . . . . 0.0 110.917 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -57.42 -49.77 75.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.625 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.7 -33.68 76.18 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.518 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.6 -43.92 96.86 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.06 -39.64 90.25 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.039 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.18 -46.43 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 120.738 0.304 . . . . 0.0 110.193 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.64 -46.47 88.08 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.661 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -55.8 -48.0 76.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -56.66 -33.73 66.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.535 0.207 . . . . 0.0 110.685 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -17.53 63.27 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.329 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.41 -19.48 59.49 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.501 0.191 . . . . 0.0 110.932 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.345 0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 110.455 178.106 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.687 0 C3'-C2'-C1' 97.763 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.938 0 O3'-P-O5' 97.367 -3.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.496 0 C3'-C2'-C1' 98.566 -2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.264 3 P-O3'-C3' 126.684 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 O4'-C4'-C3' 108.156 2.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.924 0 O4'-C4'-C3' 108.401 2.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 1 P-O3'-C3' 125.323 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.121 0 O4'-C1'-C2' 102.334 -3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.606 3 O4'-C1'-C2' 100.086 -5.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.591 10.053 0 O3'-P-O5' 97.708 -3.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.72 2 O4'-C1'-C2' 99.239 -6.237 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.442 ' H42' ' H1 ' ' C' ' 140' ' ' ' DG' . . . . . . . . 0 P--O5' 1.553 -3.983 0 C5'-C4'-C3' 109.24 -3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.354 -8.381 4 O4'-C1'-C2' 98.743 -6.689 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.642 4.915 0 O3'-P-O5' 96.696 -3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.997 0 O5'-C5'-C4' 115.497 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.319 1 P-O3'-C3' 124.946 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . 0.442 ' H1 ' ' H42' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 O4'--C4' 1.395 -4.649 0 O4'-C4'-C3' 109.325 3.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.271 0 O3'-P-O5' 96.824 -3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C4'-C3' 109.111 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.438 H2'' " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.402 -3.955 2 C5'-C4'-C3' 106.853 -5.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.438 " H5'" H2'' ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O5' 1.619 2.578 0 C4'-C3'-C2' 99.682 -3.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C4'-C3' 108.622 3.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.709 1 O4'-C4'-C3' 109.631 4.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.412 0 C5'-C4'-C3' 108.752 -3.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 0 O4'-C4'-C3' 109.52 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 C5'-C4'-C3' 110.283 -2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.596 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O3' 1.641 2.858 0 O4'-C1'-C2' 102.169 -3.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.596 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.359 0 C3'-C2'-C1' 97.406 -3.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.827 0 CA-C-O 120.627 0.251 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -79.97 30.43 0.26 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 122.518 0.327 . . . . 0.0 111.39 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.13 52.59 0.9 Allowed 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.962 0.411 . . . . 0.0 110.83 -172.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -72.14 -27.43 62.61 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.338 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.461 ' HB2' ' HD2' ' A' ' 6' ' ' PRO . 51.1 ptt85 -158.95 164.77 20.04 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 122.432 0.293 . . . . 0.0 110.343 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 5' ' ' ARG . 68.0 Cg_endo -69.02 149.63 71.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.116 1.877 . . . . 0.0 111.919 170.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 92.7 m-85 -132.37 158.68 41.31 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.51 154.97 50.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 48.9 t -65.67 142.29 58.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.896 0.379 . . . . 0.0 111.192 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.94 4.16 47.28 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.725 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -69.01 123.8 88.96 Favored Pre-proline 0 CA--C 1.546 0.801 0 O-C-N 122.451 -0.155 . . . . 0.0 110.795 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.44 99.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.407 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.85 -30.98 4.25 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.035 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 34.8 t -81.06 171.27 15.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.31 0.576 . . . . 0.0 110.815 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 23.68 0.05 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.275 175.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -74.89 139.03 42.84 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -175.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -98.78 152.51 19.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.767 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 89.5 m-85 -142.04 167.75 21.37 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 -174.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -116.68 -42.46 2.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.794 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 58.7 mttt -90.38 119.88 31.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.504 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 40.5 tp -47.34 -43.93 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 172.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 p -68.09 -46.27 71.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.295 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.21 -29.28 67.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.262 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.28 -38.94 65.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 169.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -58.02 -39.99 79.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 174.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -46.84 85.96 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -58.06 -39.05 77.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 120.722 0.296 . . . . 0.0 110.436 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p -59.25 -34.7 72.54 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 HH21 ' H73' ' B' ' 136' ' ' ' DT' . 32.4 mmt-85 -55.76 -38.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -39.82 73.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.607 0.241 . . . . 0.0 110.469 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -81.22 -22.59 38.68 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.825 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -61.69 -22.5 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.437 0.161 . . . . 0.0 110.611 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.23 18.53 38.95 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.281 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.18 -41.32 3.52 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.716 0.258 . . . . 0.0 111.325 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -43.45 106.7 0.51 Allowed Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.907 0.483 . . . . 0.0 111.568 -173.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.43 95.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.766 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' HB3' HD22 ' A' ' 54' ' ' LEU . 77.1 m-85 -88.99 172.26 9.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 170.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -129.37 152.87 48.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.0 170.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.7 136.24 17.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.71 -9.96 59.06 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.246 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.67 117.61 12.41 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.815 0.341 . . . . 0.0 110.297 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -60.32 -15.15 22.75 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -170.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -109.21 9.52 25.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 122.168 0.187 . . . . 0.0 111.353 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.432 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 45.8 t -108.07 156.69 18.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.15 0.5 . . . . 0.0 111.005 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -132.33 19.89 4.39 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.839 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -82.63 135.55 35.02 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.739 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -119.23 145.02 46.41 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.786 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.3 m-85 -130.68 139.4 50.32 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.394 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -89.82 3.14 53.84 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -144.92 143.27 30.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.128 0.49 . . . . 0.0 110.998 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -40.98 82.39 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.309 -175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -33.94 73.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -41.47 81.71 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.567 0.222 . . . . 0.0 110.525 176.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 37' ' ' TYR . 17.1 tp -60.98 -47.52 86.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 171.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -60.42 -33.6 72.75 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.065 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.62 -44.42 70.7 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.552 172.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.66 -36.63 79.18 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.948 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -53.02 -38.2 62.17 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -55.31 -33.33 63.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.426 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.607 ' HD3' " H3'" ' B' ' 129' ' ' ' DG' . 0.0 OUTLIER -63.88 -31.8 73.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 120.385 0.136 . . . . 0.0 111.341 -179.478 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -92.8 -34.74 13.75 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.634 0.254 . . . . 0.0 111.108 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -83.1 -28.61 29.36 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.318 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.01 -5.38 41.26 Favored Glycine 0 CA--C 1.545 1.967 0 C-N-CA 121.719 -0.277 . . . . 0.0 113.056 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.43 143.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-O 121.153 0.501 . . . . 0.0 111.011 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -134.33 79.78 54.12 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.292 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.77 -21.37 11.22 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.714 2.276 . . . . 0.0 113.395 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.6 m-85 -82.51 97.12 8.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -97.21 136.78 37.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.689 0.28 . . . . 0.0 111.065 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.77 136.15 56.59 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -67.32 -22.65 65.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.34 -76.12 0.53 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.284 -169.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 -5.36 59.2 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.511 0.196 . . . . 0.0 111.323 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 64.62 23.65 12.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.724 0.41 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -64.68 164.49 11.93 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -130.0 135.88 48.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 111.05 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -130.29 162.54 28.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.372 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 m -108.82 6.1 25.18 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -140.33 130.35 24.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.754 0.312 . . . . 0.0 110.463 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.6 p -67.44 -32.18 72.86 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.51 -35.93 81.47 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.874 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.2 m-70 -69.11 -44.06 73.21 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.669 173.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.3 tt -65.08 -47.63 76.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.431 0.158 . . . . 0.0 110.827 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -63.73 -34.47 77.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.626 0.25 . . . . 0.0 110.568 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.6 m -65.73 -49.47 68.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.702 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -62.26 -34.35 76.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.949 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.7 m -55.4 -41.3 72.51 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.776 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -65.52 -23.12 66.8 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.279 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -69.07 -30.88 69.3 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 120.448 0.166 . . . . 0.0 110.875 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -88.2 -22.72 23.86 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.669 0.271 . . . . 0.0 110.772 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 m -91.8 -6.0 52.49 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 -175.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.23 13.02 52.73 Favored Glycine 0 CA--C 1.545 1.92 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.39 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.27 98.07 5.04 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.949 0.404 . . . . 0.0 110.702 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.53 82.56 33.09 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -85.78 -19.36 3.4 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 122.784 2.323 . . . . 0.0 112.963 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.45 78.79 5.95 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 110.804 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 m -82.82 145.24 29.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.409 ' HA ' HD11 ' A' ' 112' ' ' LEU . 36.8 t -70.4 144.22 51.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -111.43 5.25 19.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.145 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -59.04 146.75 76.46 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.564 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.54 48.15 2.06 Favored 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 123.019 2.479 . . . . 0.0 112.671 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -176.35 -22.65 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 22.4 t -86.06 171.88 11.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.475 0.655 . . . . 0.0 111.544 -173.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -162.02 26.74 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.133 175.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 151.52 35.59 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -128.62 147.92 50.76 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.846 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -133.08 159.57 39.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.722 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.89 0.65 46.99 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -136.88 139.62 41.76 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.76 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -58.29 -43.22 87.96 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.31 -33.77 75.98 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.487 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.76 -43.27 98.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.0 tp -65.3 -40.43 93.8 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.94 174.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.24 -44.71 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.25 -46.7 87.65 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.626 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -54.39 -49.32 70.16 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.66 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -57.61 -38.85 75.63 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.135 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -71.76 -15.6 62.18 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -106.94 4.78 27.61 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.345 0.392 0 CA-C-O 120.69 0.281 . . . . 0.0 110.956 -173.005 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.149 0 O4'-C4'-C3' 109.103 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.639 2.688 0 O4'-C4'-C3' 108.792 3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 C3'-C2'-C1' 97.079 -4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O4'-C4'-C3' 109.095 3.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 C5'-C4'-C3' 109.21 -3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.607 " H3'" ' HD3' ' A' ' 60' ' ' ARG . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 110.904 -2.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.563 1 P-O3'-C3' 126.5 5.667 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.038 0 O4'-C4'-C3' 108.784 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.963 1 P-O3'-C3' 124.59 4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.466 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 3 C5'--C4' 1.575 7.987 0 P-O3'-C3' 123.977 3.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.466 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 0 P--O5' 1.63 3.721 2 C4'-C3'-C2' 97.833 -5.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.149 2 O4'-C1'-C2' 98.829 -6.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . 0.419 ' H73' HH21 ' A' ' 29' ' ' ARG . . . . . . . . 0 C4'--C3' 1.567 3.891 0 C5'-C4'-C3' 109.261 -3.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.69 1 P-O3'-C3' 126.018 5.265 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.886 0 O4'-C1'-C2' 108.596 2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.376 1 P-O3'-C3' 124.928 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 1 P-O3'-C3' 125.381 4.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.558 0 O3'-P-O5' 99.37 -2.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.18 0 O4'-C4'-C3' 109.419 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.363 1 C4'-C3'-C2' 98.448 -4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.067 0 O4'-C4'-C3' 108.842 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.465 1 O4'-C4'-C3' 109.665 4.065 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.045 1 O4'-C1'-C2' 100.879 -4.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.966 1 O4'-C4'-C3' 110.265 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.084 1 P-O3'-C3' 124.713 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.529 1 O4'-C4'-C3' 111.144 5.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.546 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.849 0 O4'-C4'-C3' 109.454 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.546 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.944 0 O4'-C4'-C3' 108.538 2.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.92 0 CA-C-O 120.616 0.246 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -161.03 -177.41 6.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.782 0.325 . . . . 0.0 110.496 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.78 -16.74 62.2 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.11 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.64 101.65 11.66 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -104.93 99.57 19.78 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.039 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -67.8 -23.76 41.3 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.601 2.201 . . . . 0.0 113.849 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.57 159.28 16.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.322 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.407 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 28.9 ptm -136.62 158.62 44.01 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.34 169.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 t -76.89 139.53 40.27 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.68 -1.95 57.85 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.761 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.37 128.77 81.71 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.15 -18.66 51.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.723 2.282 . . . . 0.0 113.22 -172.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.06 -2.65 85.83 Favored Glycine 0 CA--C 1.544 1.891 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.318 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.8 t -121.24 -78.23 0.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.511 0.325 . . . . 0.0 110.628 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.15 20.56 8.56 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.183 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.38 171.43 14.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 120.6 0.238 . . . . 0.0 110.529 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 19.7 mmm180 -106.46 156.68 18.3 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.168 0.509 . . . . 0.0 111.578 -170.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 53.6 m-85 -143.94 167.82 21.43 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.255 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.71 -44.85 3.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 76.5 tttt -97.23 122.18 39.96 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.581 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.2 tp -46.49 -47.03 19.4 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.658 0.265 . . . . 0.0 110.605 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -68.03 -45.94 72.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.874 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.91 -29.93 69.94 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.312 -177.597 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.21 -39.18 65.74 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 169.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -42.25 84.93 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.72 -43.63 95.95 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.785 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.03 -35.71 71.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.516 0.198 . . . . 0.0 110.761 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -59.12 -35.01 72.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.764 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -55.72 -38.17 69.38 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.628 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -44.42 79.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.626 0.251 . . . . 0.0 110.679 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -72.57 -21.27 61.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -172.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -53.55 -41.64 66.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 49' ' ' SER . . . -55.72 -30.77 57.05 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.477 174.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -98.76 18.53 16.74 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.818 0.447 . . . . 0.0 111.506 -173.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -112.96 83.29 5.88 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-O 120.638 0.256 . . . . 0.0 110.487 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.63 88.82 1.26 Allowed 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.772 2.315 . . . . 0.0 112.799 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.656 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 -75.26 100.58 4.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.414 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 2.4 tt0 -88.01 144.86 26.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.61 148.38 42.62 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.923 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -102.94 -1.13 29.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.102 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -57.82 142.12 46.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.002 0.429 . . . . 0.0 110.717 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -12.08 43.02 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.074 -169.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -133.96 35.39 3.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.647 0.26 . . . . 0.0 111.029 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.39 164.62 26.72 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.166 0.508 . . . . 0.0 111.025 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -155.37 19.64 0.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.555 175.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.84 139.29 40.26 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -125.25 134.75 52.19 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -178.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -118.57 139.38 51.56 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.443 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 64.7 m -83.88 42.81 0.88 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.42 144.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 120.948 0.404 . . . . 0.0 110.667 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -60.28 -44.57 95.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.965 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.44 -33.98 77.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.214 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' H41' ' B' ' 132' ' ' ' DC' . 84.3 mm-40 -68.65 -42.93 77.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.725 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -61.97 -45.02 95.5 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.549 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.89 -36.9 84.86 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.522 0.201 . . . . 0.0 111.106 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -64.21 -45.93 86.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.815 0.34 . . . . 0.0 110.149 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -60.76 -36.95 80.23 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.374 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.27 -33.72 54.28 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.177 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 12.5 mmp_? -55.06 -33.16 62.49 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.395 0.141 . . . . 0.0 110.777 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.67 -38.79 86.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.437 0.295 . . . . 0.0 111.368 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.12 -35.53 14.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.608 0.242 . . . . 0.0 111.169 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -78.39 -23.41 46.81 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.082 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.39 0.08 61.33 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 121.577 -0.344 . . . . 0.0 112.466 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 69.9 t -72.41 121.07 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.576 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.94 88.38 50.69 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.13 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.42 -18.17 7.2 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.537 2.158 . . . . 0.0 113.17 -170.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.541 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.0 m-85 -84.93 92.55 8.33 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.18 134.04 34.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.689 0.28 . . . . 0.0 110.833 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.8 t -64.79 129.6 40.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 171.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.38 -20.26 63.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -72.64 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.1 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.37 -2.61 57.98 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -173.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 64.21 22.02 12.72 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.654 0.381 . . . . 0.0 111.419 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -65.66 163.44 16.38 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 170.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.6 135.19 53.82 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.852 0.358 . . . . 0.0 110.591 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.22 159.33 36.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.4 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 p -103.26 -3.24 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.344 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -138.09 132.09 31.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p -63.5 -35.21 79.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.82 -35.21 80.04 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.039 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.456 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -70.2 -42.98 71.63 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.74 173.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -65.36 -47.69 75.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.436 0.16 . . . . 0.0 110.715 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.657 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -65.18 -49.42 69.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.644 0.259 . . . . 0.0 110.665 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.33 -33.64 75.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -55.35 -41.34 72.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -64.98 -23.13 67.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.278 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 p -68.69 -32.6 72.53 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 120.417 0.151 . . . . 0.0 110.789 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -85.14 -24.2 28.09 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 120.645 0.26 . . . . 0.0 110.657 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 m -91.76 -6.19 52.27 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.169 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.56 14.95 52.14 Favored Glycine 0 CA--C 1.547 2.037 0 C-N-CA 121.527 -0.368 . . . . 0.0 112.492 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -78.84 101.02 7.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.895 0.379 . . . . 0.0 110.685 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -122.02 81.84 43.44 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.03 -15.56 5.55 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.73 2.287 . . . . 0.0 113.1 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.44 78.53 9.8 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.9 t -78.88 146.05 33.81 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 t -70.44 161.2 30.97 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.065 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.67 3.74 5.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.899 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -62.73 145.95 95.1 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.3 13.24 0.55 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.918 2.412 . . . . 0.0 113.128 -174.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -143.55 17.8 1.85 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.022 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.62 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 17.0 t -130.66 171.84 12.62 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.309 0.575 . . . . 0.0 111.391 -175.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -167.09 26.58 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.271 179.222 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.62 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.6 mppt? -88.01 156.02 19.52 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.8 0.333 . . . . 0.0 110.626 -176.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -128.57 147.96 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -131.99 159.01 39.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.763 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.39 -0.65 45.95 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.1 141.98 46.15 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 110.808 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.0 p -57.27 -49.36 76.31 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.606 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.43 -33.6 75.9 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.421 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.73 -43.83 97.41 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 173.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.76 -41.25 92.33 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.978 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.3 t -58.23 -47.31 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -62.01 -46.72 87.98 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.675 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.37 -47.58 81.28 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.957 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -56.82 -33.71 67.0 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.546 0.212 . . . . 0.0 110.842 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -15.79 63.64 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.216 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 80.5 mtp -84.01 -16.16 44.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.015 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.347 0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 176.845 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 0 C5'-C4'-C3' 110.02 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C4'-C3' 110.495 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.964 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 O3'-P-O5' 100.425 -1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-C2' 102.776 -3.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.456 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.009 1 C5'-C4'-O4' 102.228 -4.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.939 2 O4'-C4'-C3' 111.163 5.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.559 0 O4'-C1'-C2' 103.157 -2.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . 0.424 ' H41' ' CD ' ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O5' 1.619 2.623 2 O3'-P-O5' 95.644 -4.398 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.415 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.534 0 C5'-C4'-C3' 119.197 2.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.415 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.575 8.058 1 O3'-P-O5' 94.151 -5.184 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.701 1 C5'-C4'-C3' 105.721 -5.986 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.552 5.139 0 O4'-C4'-C3' 109.307 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.954 1 O3'-P-O5' 94.04 -5.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.697 2 O4'-C4'-C3' 110.879 5.279 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.5 1 P-O3'-C3' 124.859 4.299 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.455 0 P-O3'-C3' 124.166 3.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.087 0 P-O3'-C3' 124.085 3.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.256 0 C3'-C2'-C1' 97.327 -3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.557 3.878 1 C4'-C3'-C2' 98.465 -4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.849 0 C3'-C2'-C1' 107.578 3.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.447 H2'' " O5'" ' C' ' 146' ' ' ' DC' . . . . . . . . 0 P--O5' 1.618 2.481 1 O4'-C4'-C3' 110.668 5.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . 0.447 " O5'" H2'' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.416 2 P-O3'-C3' 127.163 6.219 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.408 3 O4'-C4'-C3' 110.153 4.553 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.767 1 P-O3'-C3' 124.595 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.496 1 O5'-C5'-C4' 115.803 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.551 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.751 0 C5'-C4'-C3' 108.969 -3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.551 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.294 2 O4'-C4'-C3' 110.057 4.457 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.916 0 CA-C-O 120.652 0.263 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -152.58 128.96 10.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.547 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.68 -1.85 57.85 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 57.87 22.12 8.32 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 122.757 0.423 . . . . 0.0 111.366 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 155.0 93.99 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.747 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.56 -51.62 5.92 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.591 2.194 . . . . 0.0 112.218 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.97 151.58 49.17 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.819 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 ptm -136.57 155.69 49.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 24' ' ' LEU . 48.4 t -61.76 125.96 25.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 111.011 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.84 9.13 36.62 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.54 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 76.0 t80 -67.13 135.76 93.85 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 175.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.76 88.86 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.418 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -31.26 2.43 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.856 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.2 t -78.32 177.66 8.28 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.274 0.559 . . . . 0.0 110.952 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -171.41 16.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.434 -178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 145.77 37.72 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.63 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' H ' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.72 152.0 20.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.277 0.56 . . . . 0.0 111.364 -173.047 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.655 ' CD2' HD23 ' A' ' 24' ' ' LEU . 93.5 m-85 -144.81 162.3 37.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.976 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -121.11 -22.32 6.14 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.4 mppt? -115.76 115.61 26.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.377 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 tp -45.75 -43.83 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 120.787 0.327 . . . . 0.0 111.018 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -68.09 -45.87 72.56 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.24 -29.43 70.22 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.74 0.305 . . . . 0.0 110.428 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.655 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.25 -38.35 66.01 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 170.001 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.27 -38.6 80.52 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -49.31 78.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.623 173.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 120.689 0.28 . . . . 0.0 110.64 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -59.45 -35.3 73.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -38.6 70.79 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.763 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -57.02 -41.63 78.92 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.532 0.206 . . . . 0.0 110.707 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 13.6 m-70 -64.15 -21.12 66.43 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -173.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -52.16 -25.27 8.62 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.47 3.96 37.25 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.625 -0.321 . . . . 0.0 112.935 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.32 -43.14 34.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.138 0.469 . . . . 0.0 110.647 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -149.33 84.07 6.3 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.272 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.33 153.47 74.2 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.369 2.046 . . . . 0.0 112.141 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -74.45 175.35 7.82 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.499 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.4 157.87 43.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 170.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.49 131.76 24.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.94 -4.66 53.38 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -67.81 -22.23 65.18 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.134 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 70.63 -44.61 0.58 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 123.976 0.91 . . . . 0.0 111.671 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.75 -18.49 65.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.9 150.11 28.17 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.676 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 20.83 4.33 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.914 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -66.91 140.68 57.78 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.037 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -107.6 147.25 30.86 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 111.131 -172.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.6 m-85 -134.61 139.24 45.19 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.74 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p -85.54 -5.88 59.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.623 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -138.13 141.31 40.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.936 0.398 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -58.6 -37.72 76.45 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.039 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.51 -33.9 74.95 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.325 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -70.13 -35.24 73.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.5 0.19 . . . . 0.0 110.569 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.0 tp -67.91 -43.64 78.77 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.588 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -62.01 -39.77 93.4 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.702 0.287 . . . . 0.0 110.834 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -62.01 -47.44 84.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.257 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.3 t60 -60.77 -39.61 89.45 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -53.09 -38.43 62.55 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.543 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.44 63.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.112 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -55.83 -45.6 78.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.085 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -77.78 -24.25 48.96 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.185 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.0 p -74.93 -29.62 61.01 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.929 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.54 -7.95 29.67 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 116.531 -0.304 . . . . 0.0 112.503 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.82 137.31 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.958 0.409 . . . . 0.0 110.679 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.76 85.97 58.26 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.02 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.06 -20.03 10.35 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.74 2.293 . . . . 0.0 113.341 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.2 m-85 -79.4 82.69 5.51 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.763 0.316 . . . . 0.0 110.401 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.19 127.72 36.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.202 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 42.3 t -68.8 131.53 45.3 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.45 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -77.17 -13.49 59.94 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.269 176.546 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.14 -70.54 0.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.314 0.246 . . . . 0.0 110.873 -174.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.84 0.38 57.48 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.388 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 61.13 29.71 19.0 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.526 0.33 . . . . 0.0 110.975 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' NH1' ' H ' ' A' ' 75' ' ' LYS . 8.0 mmm180 -75.49 161.31 29.31 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.313 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' H ' ' NH1' ' A' ' 74' ' ' ARG . 62.4 mttp -133.54 128.16 34.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.706 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -121.98 162.35 21.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.7 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 p -107.15 -4.29 19.0 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.434 HH21 ' CE1' ' A' ' 81' ' ' HIS . 10.5 mtp180 -137.72 134.62 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.82 0.343 . . . . 0.0 110.594 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 p -63.77 -32.49 74.01 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -63.8 -34.98 79.12 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 120.679 0.276 . . . . 0.0 111.039 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.434 ' CE1' HH21 ' A' ' 78' ' ' ARG . 4.1 m-70 -77.21 -37.94 52.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.852 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -63.44 -47.61 81.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.628 176.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.63 -36.9 85.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.57 0.224 . . . . 0.0 110.671 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.4 m -64.62 -49.75 69.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.644 0.259 . . . . 0.0 110.505 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -63.66 -32.81 74.41 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.986 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 56.6 m -54.34 -40.83 68.42 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.545 0.338 . . . . 0.0 110.774 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -62.0 -22.57 65.8 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.066 -177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -38.85 66.52 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 120.667 0.27 . . . . 0.0 110.768 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.46 -27.69 29.31 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.226 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 p -91.71 -6.28 52.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.6 40.83 Favored Glycine 0 CA--C 1.549 2.209 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.569 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -70.47 100.27 1.75 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -120.61 84.47 36.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.9 -14.84 5.05 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.743 2.295 . . . . 0.0 112.992 -174.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.12 77.88 9.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.7 t -78.77 146.06 34.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.794 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.29 161.23 30.75 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 170.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.65 3.93 6.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.802 -176.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -62.33 148.74 89.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.56 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.69 22.54 0.29 Allowed 'Trans proline' 0 CA--C 1.55 1.319 0 C-N-CA 122.956 2.437 . . . . 0.0 113.083 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.7 t -154.68 19.27 0.46 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.106 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.32 151.67 42.19 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 121.157 0.503 . . . . 0.0 111.613 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -144.36 24.92 1.56 Allowed 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.932 170.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 36.7 mtmm -74.28 145.8 43.72 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.216 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -128.44 134.01 48.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.314 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.37 165.13 12.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.648 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.35 3.11 40.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -136.24 141.12 43.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.198 0.523 . . . . 0.0 110.704 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 p -57.13 -50.28 73.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.511 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.17 -33.6 75.83 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.68 -43.66 97.46 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.8 -40.43 91.9 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.944 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.17 -46.31 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.07 -46.6 89.98 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.712 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.44 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 45.0 t60 -54.39 -49.57 69.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.796 -0.184 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -56.67 -39.68 74.2 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.787 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -15.83 63.61 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.569 0.224 . . . . 0.0 111.199 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 mtt -114.75 13.08 17.2 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.774 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.372 0 CA-C-O 120.723 0.297 . . . . 0.0 110.923 -174.938 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.644 0 C5'-C4'-C3' 111.149 -2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.527 1 O4'-C4'-C3' 109.758 4.158 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O4'-C4'-C3' 108.906 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 P-O3'-C3' 123.551 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.462 1 C5'-C4'-C3' 106.86 -5.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.66 6.714 0 P-O3'-C3' 123.942 3.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.558 0 P-O3'-C3' 122.43 2.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.307 0 O4'-C4'-C3' 108.897 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.266 1 O4'-C4'-C3' 110.042 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.381 -3.865 0 P-O3'-C3' 123.152 2.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.63 2 C5'-C4'-O4' 116.261 4.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.973 0 O4'-C1'-C2' 102.174 -3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.868 1 C5'-C4'-C3' 108.666 -4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.45 1 O5'-C5'-C4' 115.968 4.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.416 0 O4'-C4'-C3' 108.947 3.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.639 4.641 1 P-O3'-C3' 126.671 5.809 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.32 0 P-O3'-C3' 123.897 3.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.96 0 P-O3'-C3' 124.401 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.935 0 C5'-C4'-C3' 110.14 -3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.049 4 C4'-C3'-C2' 97.878 -5.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.491 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C4'-C3' 111.943 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.491 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.402 0 O4'-C4'-C3' 108.894 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.55 3.208 1 O4'-C1'-C2' 98.224 -7.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.651 2 O4'-C4'-C3' 110.666 5.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.428 1 O3'-P-O5' 96.112 -4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.15 0 C5'-C4'-C3' 109.271 -3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.544 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.399 -2.49 1 O4'-C4'-C3' 110.408 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.544 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 P--O5' 1.64 4.664 2 C4'-C3'-C2' 97.43 -5.77 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.451 ' N ' HH12 ' A' ' 5' ' ' ARG . . . . . . . . 0 CA--C 1.551 1.019 0 CA-C-O 120.624 0.25 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -133.72 15.31 3.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.179 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -118.74 163.27 17.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.718 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -66.78 141.81 57.58 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.16 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.451 HH12 ' N ' ' A' ' 1' ' ' ALA . 21.1 mtp85 -129.68 79.73 73.0 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.413 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.41 -49.18 17.79 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.429 2.086 . . . . 0.0 111.719 170.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -126.01 163.27 23.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.199 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.1 mtp -136.24 158.69 43.83 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.771 0.32 . . . . 0.0 110.321 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 t -72.48 142.76 48.57 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.998 173.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.06 -1.67 58.14 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.771 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 81.9 t80 -80.88 123.5 82.2 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 122.362 -0.211 . . . . 0.0 110.569 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.21 -25.89 58.02 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.884 2.389 . . . . 0.0 113.593 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.2 -5.8 79.47 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.496 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.1 t -114.42 -77.97 0.58 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 122.494 0.318 . . . . 0.0 110.465 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 57.82 19.47 5.71 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -79.33 164.45 24.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 120.62 0.248 . . . . 0.0 110.362 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.71 155.98 17.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.263 0.554 . . . . 0.0 111.969 -169.757 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 24' ' ' LEU . 67.3 m-85 -142.01 170.1 16.35 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.776 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -117.06 -46.26 2.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.571 0.224 . . . . 0.0 111.23 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 27.7 mtmm -91.79 116.41 28.88 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.477 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -48.25 -43.15 32.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.135 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 p -68.05 -46.04 72.22 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.736 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.32 -30.43 71.48 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.617 0.246 . . . . 0.0 110.395 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.16 -39.77 65.39 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 170.244 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -58.16 -41.13 83.13 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -48.15 82.24 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.745 173.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.98 -41.04 82.13 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.712 0.291 . . . . 0.0 110.812 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -59.01 -34.57 72.03 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -38.38 68.65 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -56.33 -45.4 80.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.1 m-70 -71.74 -20.96 61.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.8 p -52.36 -20.38 2.74 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.21 17.94 16.43 Favored Glycine 0 CA--C 1.551 2.311 0 C-N-CA 121.691 -0.29 . . . . 0.0 112.555 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.41 1.86 14.51 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.868 0.334 . . . . 0.0 111.475 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -118.64 100.15 51.22 Favored Pre-proline 0 N--CA 1.476 0.835 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.12 162.73 25.78 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.574 2.183 . . . . 0.0 113.216 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -133.77 178.56 6.85 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.439 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -131.41 152.75 50.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.752 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.0 t -50.16 131.03 23.45 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.012 0.434 . . . . 0.0 111.051 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.61 0.77 25.07 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.324 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.59 -12.06 59.53 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 122.252 0.221 . . . . 0.0 111.179 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 73.21 -51.18 0.71 Allowed 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 123.496 0.718 . . . . 0.0 111.48 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -77.79 -2.51 36.75 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.008 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 31.5 t -100.77 148.37 24.99 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.121 0.486 . . . . 0.0 110.884 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -121.24 23.99 10.23 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.943 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -87.57 133.57 33.77 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.71 147.1 40.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.499 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -130.76 139.31 50.23 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.522 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 p -84.65 -7.05 59.37 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -141.32 151.72 43.83 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.993 0.425 . . . . 0.0 110.97 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -42.52 87.03 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.685 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.98 -39.44 92.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.094 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.5 -46.93 87.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.79 -45.01 96.04 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -60.58 -44.9 95.7 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.085 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.43 -46.6 83.37 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 173.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.85 -36.89 80.3 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.376 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.45 -38.15 63.29 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.444 0.164 . . . . 0.0 110.892 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HE ' ' CG2' ' A' ' 64' ' ' VAL . 13.6 mmp_? -55.46 -33.31 63.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.445 0.164 . . . . 0.0 111.081 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -64.07 -31.76 73.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.346 0.258 . . . . 0.0 111.439 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -94.34 -36.57 11.89 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 120.661 0.267 . . . . 0.0 111.078 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -78.37 -23.58 46.82 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.076 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.65 -7.3 41.59 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 121.718 -0.277 . . . . 0.0 112.945 173.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' CG2' ' HE ' ' A' ' 59' ' ' ARG . 34.9 m -69.04 138.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.991 0.425 . . . . 0.0 110.817 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -128.9 84.2 63.85 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.1 -19.19 10.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.706 2.271 . . . . 0.0 113.265 -170.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.3 m-85 -84.49 95.1 8.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 120.581 0.229 . . . . 0.0 110.432 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -98.89 135.18 40.69 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.727 0.299 . . . . 0.0 111.032 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.8 t -65.08 146.92 54.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 169.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -90.72 -9.16 47.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -70.57 0.71 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.6 0.36 . . . . 0.0 110.78 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.7 -7.79 58.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.599 0.237 . . . . 0.0 111.306 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 65.47 18.48 11.31 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.826 0.451 . . . . 0.0 111.378 -178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -74.71 158.0 34.31 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.58 141.84 48.91 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.06 160.33 37.5 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.215 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -104.94 -3.62 23.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.404 HH21 ' CE1' ' A' ' 81' ' ' HIS . 12.5 mtp180 -135.7 130.1 33.71 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.82 0.343 . . . . 0.0 110.462 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -60.31 -33.71 72.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.266 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.99 -35.04 79.49 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.21 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.404 ' CE1' HH21 ' A' ' 78' ' ' ARG . 3.9 m-70 -76.52 -34.24 58.57 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.788 -0.187 . . . . 0.0 110.903 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.4 tt -67.41 -47.72 69.42 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.512 0.196 . . . . 0.0 110.558 176.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.89 -34.43 77.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.0 m -67.3 -49.45 64.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.708 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.45 -30.6 71.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.019 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.5 m -54.32 -40.98 68.48 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.591 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -62.2 -25.24 67.68 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.473 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -65.17 -29.11 69.92 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.463 0.173 . . . . 0.0 110.845 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -92.61 -26.63 17.77 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.762 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 m -91.8 -6.27 52.04 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.55 -172.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.98 13.21 47.03 Favored Glycine 0 CA--C 1.55 2.22 0 C-N-CA 121.338 -0.458 . . . . 0.0 112.406 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.33 96.15 2.79 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -119.68 80.54 23.96 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -82.4 -20.8 5.69 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.76 2.307 . . . . 0.0 112.874 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.9 m-85 -79.14 76.92 5.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.006 0.431 . . . . 0.0 110.615 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 m -82.35 142.41 32.05 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.618 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.411 ' HA ' HD11 ' A' ' 112' ' ' LEU . 29.4 t -70.45 151.42 45.16 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.079 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -105.62 -1.99 23.99 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.319 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.57 151.43 97.17 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-O 120.657 0.265 . . . . 0.0 110.415 177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 129.38 22.11 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.512 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 p 63.73 14.36 8.16 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.129 0.572 . . . . 0.0 112.033 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.5 t -97.86 -83.41 0.4 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 120.684 0.278 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 56.59 30.98 18.28 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 122.938 0.495 . . . . 0.0 111.39 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 137.87 58.29 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 169.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -111.15 140.27 45.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 111.2 -170.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.33 159.53 36.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.805 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.58 -1.04 41.93 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.193 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -135.06 141.77 46.18 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 110.827 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 7.8 p -57.2 -48.07 79.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.72 -33.57 76.28 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.72 -43.24 98.11 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.5 tp -66.66 -39.56 88.24 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.991 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.26 -45.53 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.38 -46.57 89.62 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.665 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.45 -49.34 70.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.781 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -58.11 -37.26 74.2 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.893 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -16.89 63.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.483 0.182 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.4 mtp -107.62 3.66 25.04 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.018 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.345 0.388 0 CA-C-O 120.728 0.299 . . . . 0.0 111.094 -172.729 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.01 0 C3'-C2'-C1' 98.315 -3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.387 -3.282 0 O4'-C4'-C3' 109.572 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.302 0 O4'-C4'-C3' 108.221 2.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.552 2.362 1 O4'-C4'-C3' 109.865 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 0 P-O3'-C3' 124.418 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.974 1 O4'-C4'-C3' 109.753 4.153 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.362 0 P-O3'-C3' 124.227 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.128 2 C5'-C4'-C3' 107.406 -4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.551 0 O4'-C4'-C3' 109.446 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.4 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.208 3 C4'-C3'-C2' 97.058 -6.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.48 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.549 4.722 1 O3'-P-O5' 93.635 -5.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.48 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.552 5.129 0 O4'-C4'-C3' 109.331 3.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.597 5.445 2 C4'-C3'-C2' 109.403 6.203 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.538 2 P-O3'-C3' 128.344 7.204 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.138 0 O4'-C4'-C3' 108.92 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C4'-C3' 109.322 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.087 2 P-O3'-C3' 125.71 5.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 P-O3'-C3' 123.797 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . 0.41 " H1'" " H5'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O5' 1.631 3.767 0 O4'-C1'-C2' 103.133 -2.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.412 " H1'" H5'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.728 1 P-O3'-C3' 124.895 4.329 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.455 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.387 -3.33 1 O4'-C4'-C3' 110.85 5.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.455 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.392 -2.181 3 C4'-C3'-C2' 97.513 -5.687 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.138 0 P-O5'-C5' 125.033 2.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 3.011 0 O4'-C1'-C2' 102.212 -3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.366 0 O3'-P-O5' 98.691 -2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.713 0 O4'-C4'-C3' 109.531 3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.598 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.405 -3.753 2 C5'-C4'-C3' 107.865 -4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.598 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.408 -3.488 1 C3'-C2'-C1' 96.916 -4.131 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 120.584 0.231 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -69.06 -25.63 64.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.167 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.33 62.51 2.36 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.991 0.425 . . . . 0.0 110.786 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -76.66 56.31 1.13 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.28 83.37 11.02 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.33 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.24 129.98 11.68 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.71 167.12 11.97 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.413 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 1.4 pmm? -136.25 158.66 43.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.173 169.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 43.0 t -81.61 131.47 35.27 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.733 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.12 -7.36 58.87 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.781 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 60.0 t80 -70.79 127.23 92.03 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 120.463 0.173 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.03 -14.59 35.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.727 2.285 . . . . 0.0 113.334 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.91 -2.59 71.57 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.156 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 7.9 t -120.16 -67.35 0.99 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.501 0.32 . . . . 0.0 110.776 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.13 36.76 1.59 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.004 0.522 . . . . 0.0 111.693 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.5 -172.35 3.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.784 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 61.8 mmt-85 -119.19 154.75 32.84 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 111.457 -174.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.653 ' CD2' HD23 ' A' ' 24' ' ' LEU . 70.7 m-85 -141.68 170.06 16.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.965 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.13 -9.71 6.49 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 42.9 mmtm -132.76 114.84 14.61 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -46.66 -42.23 16.07 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 120.674 0.273 . . . . 0.0 110.85 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -68.3 -46.12 71.18 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.12 -29.3 68.19 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.19 -34.3 65.9 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 169.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.5 88.0 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 171.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -49.84 75.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.19 -39.02 77.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 120.669 0.271 . . . . 0.0 111.144 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -59.1 -34.87 72.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.323 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -55.56 -38.12 68.91 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.18 -45.46 79.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.496 0.188 . . . . 0.0 110.579 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -71.52 -21.49 61.91 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -172.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.97 -29.71 63.47 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.535 0.207 . . . . 0.0 110.885 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.84 -0.59 60.32 Favored Glycine 0 CA--C 1.543 1.821 0 C-N-CA 121.58 -0.343 . . . . 0.0 112.531 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.04 -45.79 8.13 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.788 0.294 . . . . 0.0 110.687 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.36 86.6 8.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.253 172.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.77 167.42 25.81 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 112.493 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.3 m-85 -71.56 172.19 10.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.279 170.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -132.42 151.79 51.74 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.06 129.79 24.62 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.075 0.464 . . . . 0.0 111.375 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.3 -8.79 57.36 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.21 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.23 -17.46 64.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.317 0.247 . . . . 0.0 111.224 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER 71.7 -48.5 0.68 Allowed 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 123.666 0.787 . . . . 0.0 111.901 175.511 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -73.17 -14.09 61.29 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.658 0.266 . . . . 0.0 110.733 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.4 t -88.32 161.33 17.2 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.336 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.32 22.96 4.42 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.98 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -94.72 145.87 24.56 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -121.66 147.18 46.2 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.3 m-85 -132.12 139.33 48.42 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.613 -176.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p -72.25 -31.45 65.8 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.409 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -122.42 156.34 34.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.324 0.583 . . . . 0.0 111.404 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.21 77.63 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.045 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -69.37 -34.79 75.07 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.418 0.152 . . . . 0.0 111.3 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.41 -43.35 86.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.4 tp -63.34 -44.47 94.77 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.72 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.89 -41.15 97.54 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.848 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -58.7 -47.37 84.79 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.2 t60 -60.77 -39.62 89.48 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.187 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -53.41 -38.11 63.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.967 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.14 -33.39 62.86 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 122.476 -0.14 . . . . 0.0 110.987 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.36 -37.03 85.69 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.251 0.22 . . . . 0.0 111.299 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -87.0 -35.09 18.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.661 0.267 . . . . 0.0 111.061 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.2 p -82.12 -26.41 33.58 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.1 11.91 84.62 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 121.568 -0.349 . . . . 0.0 112.369 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.1 t -76.17 114.63 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.08 86.48 46.88 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.96 7.41 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.688 2.259 . . . . 0.0 113.029 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.591 ' HB3' HD13 ' A' ' 82' ' ' LEU . 87.0 m-85 -86.35 92.67 8.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -101.71 134.97 44.02 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.773 0.32 . . . . 0.0 110.722 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.78 132.46 49.63 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -23.88 67.49 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.026 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -74.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.137 -172.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -88.88 -5.05 58.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.236 0.214 . . . . 0.0 111.418 -173.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 64.84 20.58 12.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.765 0.426 . . . . 0.0 111.483 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -65.65 139.1 58.38 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -112.4 135.29 53.27 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.894 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -131.57 159.7 37.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.513 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -106.73 9.24 31.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.942 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -140.35 126.66 19.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.1 p -66.53 -33.56 75.96 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.64 -38.38 90.04 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.754 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.8 m-70 -68.4 -44.94 73.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.938 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.8 tt -65.06 -47.27 77.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.512 0.196 . . . . 0.0 110.913 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -62.86 -35.32 79.6 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.573 0.225 . . . . 0.0 110.782 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.2 m -66.76 -49.59 65.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.824 0.345 . . . . 0.0 110.633 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.48 -32.87 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.971 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -54.25 -40.92 68.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -62.23 -23.11 66.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.7 p -62.54 -26.5 68.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.565 0.221 . . . . 0.0 110.814 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -93.06 -29.29 15.87 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -91.79 -6.32 51.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.04 14.42 61.24 Favored Glycine 0 CA--C 1.548 2.151 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.71 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -73.09 100.68 3.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 80.56 10.23 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.308 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.32 -15.04 9.11 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.651 2.234 . . . . 0.0 113.163 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -85.32 76.16 10.16 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 p -83.8 142.69 30.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.962 0.41 . . . . 0.0 110.863 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.23 147.96 49.15 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -176.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.46 -4.38 24.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -63.42 149.79 91.09 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-O 120.606 0.241 . . . . 0.0 110.483 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.83 20.41 0.53 Allowed 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 122.756 2.304 . . . . 0.0 113.451 -170.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.7 p -172.84 64.55 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.641 0.258 . . . . 0.0 110.738 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 36.4 t -161.98 -82.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.681 0.276 . . . . 0.0 111.15 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.31 25.16 14.62 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.983 0.513 . . . . 0.0 111.713 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 146.36 54.58 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 169.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -121.2 131.43 54.23 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.354 -169.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -120.26 164.04 16.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.825 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.64 -3.12 31.01 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -134.64 146.02 49.15 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.148 0.499 . . . . 0.0 110.714 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.629 ' O ' HG13 ' A' ' 113' ' ' VAL . 6.3 p -57.75 -50.26 73.82 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.506 178.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -62.14 -33.56 74.72 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.57 -43.35 97.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.77 -40.61 84.02 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.204 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 109' ' ' SER . 17.1 m -61.59 -41.52 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.635 0.255 . . . . 0.0 110.646 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -66.14 -46.61 76.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.635 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.93 -45.9 74.88 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.953 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -57.14 -33.59 67.55 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.669 -0.242 . . . . 0.0 110.946 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -18.0 65.14 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.065 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.5 mtt -79.42 -18.27 52.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.476 0.179 . . . . 0.0 110.976 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.346 0.455 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 177.192 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.286 0 C3'-C2'-C1' 98.761 -2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 0 O4'-C4'-C3' 108.562 2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.954 0 C3'-C2'-C1' 98.199 -3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.484 1 C5'-C4'-C3' 108.083 -4.411 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.403 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.553 5.26 0 P-O3'-C3' 124.189 3.741 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.479 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O3'-P-O5' 98.606 -2.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.485 2 O4'-C4'-C3' 110.757 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.55 2.237 0 O4'-C4'-C3' 108.976 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.55 4.878 0 O4'-C4'-C3' 108.613 3.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.73 2 O4'-C4'-C3' 112.691 7.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.851 5 O4'-C4'-C3' 113.714 8.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.534 -5.851 3 O4'-C4'-C3' 113.099 7.499 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.082 1 P-O3'-C3' 124.968 4.39 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.652 5.859 2 O3'-P-O5' 92.587 -6.007 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.636 0 C2'-C3'-O3' 118.107 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 1 P-O3'-C3' 124.803 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.079 5 O4'-C4'-C3' 112.838 7.238 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 P-O3'-C3' 124.978 4.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.655 4.019 0 O5'-C5'-C4' 114.863 3.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.444 " H1'" H5'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.598 2 O4'-C4'-C3' 111.175 5.575 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.444 H5'' " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.403 -3.917 3 O4'-C4'-C3' 111.029 5.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.426 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 1 P--O5' 1.64 4.718 1 O4'-C4'-C3' 110.225 4.625 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.218 0 C5'-C4'-C3' 109.515 -3.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.295 1 O4'-C1'-C2' 100.892 -4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.538 1 O3'-P-O5' 93.989 -5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 C5'-C4'-C3' 108.544 -4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.577 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.509 0 O4'-C4'-C3' 108.641 3.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.577 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.633 3.957 0 O4'-C4'-C3' 109.234 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -56.29 -29.02 60.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.367 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -52.53 -34.59 50.65 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.157 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.94 8.2 17.13 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.46 67.08 12.68 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.59 178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -81.14 156.17 19.79 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 84.8 m-85 -128.34 159.15 36.21 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.78 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mtp -136.38 150.02 48.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 168.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.82 129.44 39.95 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.993 0.425 . . . . 0.0 110.942 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.84 -9.27 58.48 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.785 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -70.01 128.23 91.82 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 120.535 0.207 . . . . 0.0 110.463 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.73 -16.29 41.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.664 2.243 . . . . 0.0 113.224 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.99 -9.21 66.07 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.196 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 41.6 t -110.33 -75.89 0.62 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 122.325 0.25 . . . . 0.0 111.0 -174.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.91 29.95 1.82 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.065 0.546 . . . . 0.0 111.873 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 mppt? -84.37 167.38 16.57 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 171.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 151.52 20.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.092 0.473 . . . . 0.0 111.606 -171.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.604 ' CD2' HD23 ' A' ' 24' ' ' LEU . 75.9 m-85 -134.26 162.0 33.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.734 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -115.99 -14.09 11.24 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.318 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 88.6 mttt -132.03 113.9 13.93 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 122.402 0.281 . . . . 0.0 110.574 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 55.5 tp -45.3 -42.37 9.69 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 120.716 0.293 . . . . 0.0 111.111 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.12 -45.93 72.29 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.678 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.07 -29.24 68.96 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.19 -35.1 66.32 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 169.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -39.97 80.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.9 mmt -63.34 -49.8 72.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -58.03 -34.49 70.12 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.733 0.301 . . . . 0.0 111.06 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.7 m -58.79 -34.48 71.51 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -54.42 -38.06 65.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.635 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.27 -47.43 78.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.462 0.172 . . . . 0.0 110.701 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -70.44 -21.43 62.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -171.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -56.25 -27.4 54.9 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.453 0.168 . . . . 0.0 110.986 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.5 -6.38 59.77 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 121.598 -0.334 . . . . 0.0 112.613 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -93.35 -36.04 12.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.807 0.304 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -143.85 85.19 9.28 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.417 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.14 164.55 35.31 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.521 2.148 . . . . 0.0 112.233 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 54' ' ' LEU . 93.0 m-85 -73.9 162.77 28.73 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.7 143.28 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.77 151.26 47.81 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.06 -1.84 28.5 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 43.1 t80 -71.84 114.36 9.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -19.61 65.83 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -169.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.92 9.15 23.12 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.75 -74.66 0.48 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.494 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 52.33 30.72 8.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 122.785 0.434 . . . . 0.0 111.411 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -81.44 156.18 25.49 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -112.84 141.46 46.63 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -176.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -134.13 139.26 45.78 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.691 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -68.97 -39.74 79.26 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.44 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.08 151.7 32.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.051 0.453 . . . . 0.0 111.226 -175.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.51 -39.37 76.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.771 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.37 -40.76 89.94 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -61.33 -46.47 90.11 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.3 tp -62.4 -48.26 80.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.797 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.64 -44.9 90.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.284 0.234 . . . . 0.0 111.308 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -59.81 -46.9 87.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.448 ' CD2' HE21 ' A' ' 58' ' ' GLN . 0.8 OUTLIER -60.59 -36.97 79.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 -177.515 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.448 HE21 ' CD2' ' A' ' 57' ' ' HIS . 29.4 mm-40 -53.12 -38.02 62.27 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.755 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.11 -33.27 62.68 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.935 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -57.39 -31.82 66.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.575 0.35 . . . . 0.0 111.652 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 25.3 p80 -132.24 55.46 1.88 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.338 0.59 . . . . 0.0 110.508 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -153.75 -49.53 0.09 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.369 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.93 -7.33 1.58 Allowed Glycine 0 N--CA 1.48 1.606 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.547 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 t 68.77 -68.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.48 0.712 . . . . 0.0 111.206 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -151.59 96.23 3.2 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-O 120.605 0.241 . . . . 0.0 111.268 -170.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 82.4 Cg_endo -88.92 -22.48 1.08 Allowed 'Trans proline' 0 CA--C 1.561 1.838 0 C-N-CA 122.726 2.284 . . . . 0.0 113.433 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 89.9 m-85 -78.22 86.7 4.33 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 120.734 0.302 . . . . 0.0 110.826 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.13 127.47 36.57 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.74 143.59 57.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.476 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -92.43 -12.91 30.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 175.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.71 -64.67 1.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.823 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 30.5 p -98.62 2.13 47.02 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 63.47 18.74 11.27 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.463 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 7.6 mmm180 -70.33 173.51 6.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.561 0.22 . . . . 0.0 110.628 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -137.33 142.94 41.83 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.541 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.97 162.08 33.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.8 m -97.8 -10.89 24.0 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.62 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -143.88 148.2 35.11 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -68.02 -31.32 70.92 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.045 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.38 -37.95 89.27 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 120.583 0.23 . . . . 0.0 110.812 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.489 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 64.0 m170 -71.51 -36.22 71.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.717 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 8.1 tt -66.87 -47.63 71.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.275 0.083 . . . . 0.0 110.836 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -61.53 -39.47 91.14 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.81 0.338 . . . . 0.0 110.539 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.1 m -61.19 -49.57 76.65 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.289 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -62.34 -33.01 73.87 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.221 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.2 m -54.23 -38.99 66.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.745 0.418 . . . . 0.0 110.865 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -61.68 -22.46 65.34 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.71 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 m -54.4 -47.18 73.03 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.051 172.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.21 -27.55 60.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.681 0.277 . . . . 0.0 110.67 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -91.62 -6.26 52.55 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.91 24.1 59.97 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.189 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.12 123.3 34.48 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.039 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.6 87.9 40.27 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.288 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 85.2 Cg_endo -83.52 -18.45 5.78 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 122.511 2.141 . . . . 0.0 113.059 -175.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -84.26 78.42 9.79 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.013 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 t -78.65 142.23 37.35 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.668 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.479 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.9 t -70.4 161.33 30.7 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -86.12 0.53 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.622 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.8 m95 54.24 -179.87 0.03 OUTLIER Pre-proline 0 CA--C 1.576 1.965 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 26.8 Cg_exo -48.01 -43.75 29.52 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.314 2.01 . . . . 0.0 112.662 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 m -170.75 64.28 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.4 t -87.8 177.68 6.93 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.308 0.575 . . . . 0.0 111.121 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.4 tp-100 -160.7 13.97 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.908 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -79.4 137.55 37.32 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -128.52 132.46 48.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.09 165.37 12.97 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.908 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.06 -3.73 34.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -133.99 141.62 47.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.0 0.429 . . . . 0.0 110.629 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.1 p -57.15 -48.31 79.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.382 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.05 -33.78 76.17 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.78 -42.63 97.93 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.7 tp -67.37 -39.03 85.63 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.003 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.17 -45.71 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.44 -46.54 89.64 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.593 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.5 -49.54 69.93 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.65 -39.75 74.27 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.77 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -15.71 63.62 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.221 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.1 mtt -114.25 7.23 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.457 0.303 . . . . 0.0 110.973 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.739 0.305 . . . . 0.0 110.97 -173.361 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.055 0 C3'-C2'-C1' 98.27 -3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 0 O4'-C1'-C2' 108.66 2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 2 C3'-C2'-C1' 96.173 -4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.708 2 O4'-C4'-C3' 110.246 4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.568 0 P-O3'-C3' 123.538 3.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.489 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O3' 1.637 2.508 0 P-O3'-C3' 123.838 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.047 3 O4'-C4'-C3' 112.743 7.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 2.964 0 C4'-C3'-C2' 100.075 -3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.145 0 O3'-P-O5' 96.494 -3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.424 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.639 4.586 0 O3'-P-O5' 96.679 -3.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.424 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 0 P--O5' 1.628 3.467 5 C5'-C4'-C3' 104.161 -7.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.699 0 O4'-C1'-C2' 102.136 -3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.422 0 C5'-C4'-C3' 109.03 -3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 P-O3'-C3' 123.981 3.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.246 1 O5'-C5'-C4' 118.025 5.589 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.078 1 P-O3'-C3' 125.828 5.106 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.828 2 O5'-C5'-C4' 118.008 5.577 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.514 0 P-O3'-C3' 123.843 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.642 4.918 1 P-O3'-C3' 124.934 4.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.965 1 P-O3'-C3' 124.857 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.73 1 C4'-C3'-C2' 98.906 -4.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.667 0 O4'-C4'-C3' 108.38 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C4'-C3' 108.201 2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.152 0 O4'-C4'-C3' 109.241 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.878 0 O3'-P-O5' 97.091 -3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.241 0 C5'-C4'-C3' 109.777 -3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.588 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 O4'-C4'-C3' 108.279 2.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.588 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C4'-C3' 108.863 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.928 0 CA-C-O 120.571 0.224 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -170.73 173.3 5.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.559 0.343 . . . . 0.0 110.449 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -75.43 -2.72 29.97 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.411 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -72.92 81.32 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.842 0.354 . . . . 0.0 110.295 173.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtm-85 -136.1 66.94 61.83 Favored Pre-proline 0 CA--C 1.553 1.058 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.33 -35.34 5.06 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.562 2.174 . . . . 0.0 112.539 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -118.72 162.99 17.51 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.95 0.405 . . . . 0.0 110.738 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 64.1 mtt -136.23 158.76 43.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.573 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.444 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 40.4 t -103.04 124.72 49.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.378 171.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 -8.8 57.95 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.926 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.483 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 77.1 t80 -71.82 132.31 85.11 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 120.599 0.238 . . . . 0.0 110.824 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 89.1 Cg_endo -74.82 56.69 4.22 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 122.968 2.445 . . . . 0.0 112.385 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.52 57.68 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 43.8 t -152.13 175.67 12.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.675 0.39 . . . . 0.0 110.11 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.91 -20.34 65.89 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.428 169.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 9' ' ' CYS . 2.9 ttmt 71.51 15.7 6.08 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 123.138 0.575 . . . . 0.0 111.337 169.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 7.1 tmm_? -143.23 141.9 31.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.033 0.444 . . . . 0.0 111.408 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.773 ' CD2' HD23 ' A' ' 24' ' ' LEU . 36.8 m-85 -144.83 170.05 16.86 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -115.69 -37.62 3.91 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.285 -175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 14.7 tppt? -108.9 122.28 46.87 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.625 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.711 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.48 -45.29 36.65 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.044 179.188 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.6 ' H ' HD22 ' A' ' 21' ' ' LEU . 42.3 m -68.08 -45.93 72.43 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.535 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.08 -29.36 69.69 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.41 -38.9 65.42 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.205 169.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -38.76 77.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.99 -48.11 66.68 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 38.8 t60 -58.0 -35.25 70.97 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.635 0.255 . . . . 0.0 111.091 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -59.04 -35.04 72.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.303 -176.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -38.37 69.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.26 -47.34 78.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.534 0.207 . . . . 0.0 110.537 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.483 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 45.5 m-70 -75.67 -21.59 57.5 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -60.05 -27.02 66.6 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.13 -8.57 57.72 Favored Glycine 0 CA--C 1.541 1.705 0 CA-C-N 116.394 -0.366 . . . . 0.0 112.576 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.58 -30.81 20.23 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.783 0.291 . . . . 0.0 110.641 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.1 69.02 7.2 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.199 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.3 154.47 65.58 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.485 2.123 . . . . 0.0 112.266 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 54' ' ' LEU . 24.0 m-85 -90.17 166.25 13.49 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.383 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -132.54 151.2 52.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.73 151.88 37.21 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.345 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.93 -8.42 49.38 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.145 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.62 115.9 23.59 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.896 0.379 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.6 -18.45 65.33 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.008 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -91.34 0.27 57.54 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.126 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.9 t -117.4 -68.15 0.94 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 49.98 37.84 14.96 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.331 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.88 162.71 23.83 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 145.23 50.2 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.001 0.429 . . . . 0.0 111.316 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.5 m-85 -129.34 139.39 51.74 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.603 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 p -90.06 20.09 4.52 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.499 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -157.25 148.4 21.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.983 0.421 . . . . 0.0 110.954 172.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.4 p -62.85 -42.76 99.87 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.982 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.88 -33.85 76.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.003 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.48 -44.38 87.3 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.419 0.152 . . . . 0.0 110.688 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 37' ' ' TYR . 30.6 tp -63.61 -45.64 89.42 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.716 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -60.79 -42.48 97.65 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.4 -47.4 85.95 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.83 0.347 . . . . 0.0 110.295 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 41.9 t60 -60.75 -36.82 79.88 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.168 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -53.09 -36.73 61.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.525 0.33 . . . . 0.0 110.911 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 11.5 mmp_? -55.13 -32.89 62.41 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.023 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -55.75 -41.67 74.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.331 0.252 . . . . 0.0 111.443 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -93.63 -31.06 14.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.352 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -77.93 -26.09 48.71 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.817 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.3 -9.19 76.22 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.964 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 13.1 p -73.46 121.45 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -122.79 87.65 50.17 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.989 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.91 -20.1 11.97 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.752 2.301 . . . . 0.0 113.526 -169.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.2 m-85 -82.76 86.09 6.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -94.36 133.99 37.34 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.94 128.71 36.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.409 171.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -71.35 -16.27 62.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.883 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -71.99 0.57 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.019 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -93.77 -4.06 50.98 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.185 0.194 . . . . 0.0 111.522 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 66.71 19.56 10.75 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.758 0.423 . . . . 0.0 111.482 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -67.64 139.67 56.83 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -111.4 132.16 54.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.42 160.1 28.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.51 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -110.35 9.18 23.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -144.44 121.4 11.35 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.668 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -60.27 -29.4 68.78 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.223 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.64 -39.79 95.25 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -75.28 -38.07 60.57 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.4 tt -65.67 -47.38 75.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 121.366 -0.134 . . . . 0.0 110.64 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.28 -42.04 99.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.58 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 m -59.82 -49.48 77.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.779 0.323 . . . . 0.0 110.59 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.78 -38.73 92.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.6 m -54.96 -41.5 71.22 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -69.18 -23.0 63.87 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.959 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 p -68.97 -34.93 76.13 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.383 0.135 . . . . 0.0 110.739 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.29 -19.19 43.5 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 120.647 0.261 . . . . 0.0 110.546 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 m -91.69 -6.11 52.6 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.855 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.29 14.61 66.72 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 121.404 -0.427 . . . . 0.0 112.4 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.93 105.24 12.0 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.52 82.01 63.75 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.452 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -86.0 -14.73 4.99 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 122.8 2.333 . . . . 0.0 113.191 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -83.9 77.43 9.9 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.9 t -79.09 145.6 33.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.28 156.15 39.67 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.42 4.79 8.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.878 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -61.74 150.23 82.63 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 120.727 0.299 . . . . 0.0 110.713 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.95 23.25 0.3 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 122.997 2.465 . . . . 0.0 113.058 -174.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 m -161.53 23.13 0.12 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.29 0.236 . . . . 0.0 110.882 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 33.9 t -144.46 168.69 19.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.219 0.533 . . . . 0.0 111.223 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 1.1 tp-100 -164.38 29.5 0.07 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.04 171.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -68.15 143.62 55.32 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -123.79 133.85 53.74 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 111.171 -171.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.72 164.47 17.34 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.909 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.99 -3.42 32.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -130.54 139.77 50.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.985 0.421 . . . . 0.0 110.676 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.9 p -57.14 -48.16 79.38 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.303 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -64.52 -33.52 76.1 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.777 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.59 -43.06 97.79 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 173.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.87 -40.35 87.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.078 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.23 -47.39 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -60.9 -46.74 89.42 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.671 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -57.6 -47.39 82.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.985 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -56.69 -33.6 66.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.791 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -16.25 63.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.441 0.162 . . . . 0.0 111.212 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.8 mtt -81.03 -17.94 48.48 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.527 0.203 . . . . 0.0 110.97 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.346 0.452 0 CA-C-O 120.75 0.31 . . . . 0.0 110.469 177.146 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.726 0 C5'-C4'-C3' 109.356 -3.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.879 1 O4'-C4'-C3' 110.162 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 1 C3'-C2'-C1' 96.764 -4.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.119 0 O4'-C4'-C3' 108.82 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.775 0 C3'-C2'-C1' 99.119 -2.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O3'-P-O5' 98.338 -2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.45 1 O4'-C4'-C3' 110.474 4.874 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.56 6.063 0 O4'-C1'-C2' 102.916 -2.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.649 1 O3'-P-O5' 94.94 -4.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.094 1 P-O3'-C3' 124.873 4.311 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.523 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.562 6.382 2 O4'-C1'-C2' 100.124 -5.433 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.523 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.542 2.41 0 C5'-C4'-C3' 108.751 -3.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.395 -2.791 1 O4'-C4'-C3' 109.621 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.193 1 O3'-P-O5' 93.5 -5.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 O5'-C5'-C4' 115.638 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.413 1 O4'-C4'-C3' 111.004 5.404 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.446 0 P-O3'-C3' 124.044 3.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.733 1 O3'-P-O5' 96.385 -4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.673 5.463 0 C2'-C3'-O3' 118.452 2.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 2 O4'-C4'-C3' 110.591 4.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.854 1 O5'-C5'-C4' 116.098 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.552 5.159 0 P-O3'-C3' 124.013 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.029 1 O4'-C1'-C2' 101.239 -4.419 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.616 2 O4'-C4'-C3' 111.99 6.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O3'-P-O5' 98.578 -2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.354 0 C5'-C4'-C3' 109.307 -3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.533 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 1 P--O5' 1.637 4.438 2 C5'-C4'-C3' 107.495 -4.804 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.533 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C1'-C2' 109.591 3.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 CA-C-O 120.732 0.301 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -69.9 -13.87 62.46 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.226 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -77.12 35.64 0.17 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 122.606 0.362 . . . . 0.0 111.391 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp 50.84 44.06 28.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.58 0.352 . . . . 0.0 111.186 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -62.73 158.69 49.82 Favored Pre-proline 0 CA--C 1.552 1.019 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.659 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -71.49 89.18 0.72 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 122.522 2.148 . . . . 0.0 111.896 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -76.26 85.86 3.07 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.43 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.3 ptt? -80.83 138.42 36.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.079 0.466 . . . . 0.0 110.78 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.37 140.31 56.23 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.666 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.02 -17.13 61.47 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.501 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 66.6 t80 -72.5 117.87 62.8 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-O 120.565 0.222 . . . . 0.0 110.984 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.89 110.72 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 122.637 2.225 . . . . 0.0 112.082 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.83 -38.84 2.08 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.2 -78.13 0.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m120 49.62 27.18 2.04 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.39 152.96 44.3 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.413 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -98.49 127.55 44.47 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.155 0.502 . . . . 0.0 111.094 -170.574 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 60.9 m-85 -109.34 170.32 8.13 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.441 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.98 -38.43 3.65 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.601 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 49.8 mtpt -97.39 115.55 27.94 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.653 0.263 . . . . 0.0 110.492 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -44.85 -47.19 11.08 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.797 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -67.93 -45.27 74.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.936 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.97 -30.92 71.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.586 0.231 . . . . 0.0 110.407 -178.595 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.1 -42.04 63.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.264 170.068 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -57.98 -38.79 76.72 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 tpt -64.31 -46.63 82.74 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -57.85 -36.81 72.82 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.574 0.225 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 p -59.07 -34.99 72.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.747 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 32' ' ' THR . 7.2 tmm_? -55.69 -38.23 69.38 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.4 -42.62 78.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.561 0.219 . . . . 0.0 110.469 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 74.8 m-70 -78.51 -21.39 48.96 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.354 -176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -59.72 -14.8 15.77 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.946 0.403 . . . . 0.0 109.945 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.93 40.23 1.68 Allowed Glycine 0 CA--C 1.544 1.866 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 169.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.92 60.6 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.782 0.433 . . . . 0.0 111.826 -172.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -146.65 160.54 41.02 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.499 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.11 90.55 0.55 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.096 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.5 m-85 -63.13 112.15 2.52 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.238 174.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.0 148.6 24.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.016 0.436 . . . . 0.0 111.12 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.25 153.0 44.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.775 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.99 -8.56 25.21 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.05 110.47 3.95 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -59.93 -25.62 65.3 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.986 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.74 8.89 13.19 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 120.546 0.212 . . . . 0.0 111.176 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.5 t -136.81 -81.43 0.38 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.673 0.389 . . . . 0.0 110.669 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 54.24 34.65 20.86 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 122.874 0.47 . . . . 0.0 111.657 -176.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 159.01 35.0 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 171.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -113.52 141.08 47.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.98 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 99.1 m-85 -130.3 148.82 52.17 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.8 p -99.19 21.83 11.31 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -161.81 150.8 15.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.415 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 p -63.93 -42.44 97.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -34.08 75.63 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.032 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.36 -48.9 79.17 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.0 tp -60.35 -49.86 75.9 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.91 -44.18 96.78 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.441 0.163 . . . . 0.0 111.056 -179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -57.72 -47.09 83.4 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.746 0.308 . . . . 0.0 110.247 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -60.48 -49.47 77.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.349 -178.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -54.7 -38.27 66.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.71 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.31 63.37 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.705 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.559 ' HD3' H5'' ' B' ' 129' ' ' ' DG' . 0.4 OUTLIER -58.91 -31.59 68.77 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.489 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -115.39 -5.13 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.0 p -102.25 -27.81 12.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.198 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.01 105.68 0.52 Allowed Glycine 0 N--CA 1.472 1.082 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -46.52 -79.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -169.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 64' ' ' VAL . 46.9 mmtt -144.04 80.66 12.23 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-O 120.615 0.245 . . . . 0.0 111.149 -171.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.2 -22.11 5.14 Favored 'Trans proline' 0 CA--C 1.552 1.412 0 C-N-CA 122.604 2.203 . . . . 0.0 113.324 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.41 94.46 7.99 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.531 0.205 . . . . 0.0 110.482 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -95.12 137.45 34.16 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.706 0.288 . . . . 0.0 111.279 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.76 147.43 53.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.411 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -85.7 -14.28 45.86 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -73.1 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -172.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.21 -2.97 59.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.382 0.273 . . . . 0.0 111.25 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 61.72 24.53 14.62 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 122.721 0.409 . . . . 0.0 111.228 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -64.85 164.15 12.97 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.62 138.11 49.95 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.997 0.427 . . . . 0.0 111.0 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -135.1 167.14 21.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.353 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 p -102.55 -15.16 16.5 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.937 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -136.75 152.82 50.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.048 0.451 . . . . 0.0 111.128 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 p -72.96 -34.56 66.57 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.26 -35.02 79.47 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.565 0.222 . . . . 0.0 110.591 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.3 m-70 -68.59 -45.31 72.34 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.635 172.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.15 -47.65 79.07 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.402 0.144 . . . . 0.0 110.967 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.68 -37.03 80.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 m -65.84 -49.6 67.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.664 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.58 -34.59 75.87 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.936 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.8 m -54.39 -41.22 69.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.889 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -62.29 -22.8 66.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.234 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -54.58 -36.22 64.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.696 0.284 . . . . 0.0 110.814 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -86.9 -28.76 22.6 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.322 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.8 p -91.7 -6.4 52.08 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.75 9.37 55.88 Favored Glycine 0 CA--C 1.55 2.24 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.738 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.03 94.56 1.11 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -122.67 78.84 47.98 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.395 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -80.52 -18.63 9.37 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.783 2.322 . . . . 0.0 113.111 -174.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.21 81.09 8.96 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.758 0.313 . . . . 0.0 110.674 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 t -89.72 142.77 27.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.41 135.03 48.39 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.589 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 7.99 29.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.198 -175.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -58.85 151.61 53.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.43 23.7 0.32 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 123.038 2.492 . . . . 0.0 112.939 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.7 m -160.27 18.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.313 0.245 . . . . 0.0 111.038 177.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.3 t -150.09 152.68 35.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 120.805 0.336 . . . . 0.0 110.802 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -146.08 36.23 1.02 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.847 171.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 32.4 mtmm -71.17 166.38 21.61 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.281 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -128.79 144.81 51.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.13 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -133.73 155.75 49.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.52 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.15 3.92 44.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -134.27 134.77 42.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -57.11 -43.8 82.62 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.3 -33.47 75.35 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.581 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.66 -42.07 96.31 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.278 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.73 -42.62 90.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.881 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.1 -47.23 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.157 175.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -61.47 -46.77 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.766 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.413 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 75.2 t60 -55.76 -49.84 72.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.677 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -56.76 -38.17 72.07 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.914 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -18.68 63.62 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 120.524 0.202 . . . . 0.0 111.095 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -103.76 -1.6 27.69 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.036 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.344 0.334 0 CA-C-O 120.599 0.238 . . . . 0.0 111.091 -171.707 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.918 0 C3'-C2'-C1' 99.218 -2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.523 0 P-O3'-C3' 122.649 2.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.516 1 C3'-C2'-C1' 95.888 -4.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C4'-C3' 109.517 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.398 0 O4'-C1'-C2' 103.212 -2.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.559 H5'' ' HD3' ' A' ' 60' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.386 0 P-O3'-C3' 122.122 2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.47 0 P-O3'-C3' 123.903 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 P-O3'-C3' 122.36 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C4'-C3' 108.829 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.148 0 C2'-C3'-O3' 117.283 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.306 1 C5'-C4'-C3' 106.876 -5.216 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C1'-C2' 102.616 -3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 P-O3'-C3' 123.877 3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.123 0 P-O3'-C3' 123.751 3.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.558 2.973 0 O5'-C5'-C4' 114.38 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 P-O3'-C3' 127.277 6.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 P-O3'-C3' 124.336 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.126 0 O4'-C4'-C3' 108.563 2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.818 1 O4'-C4'-C3' 109.717 4.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C4'-C3' 109.578 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.453 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 P--O3' 1.642 2.882 0 O4'-C4'-C3' 109.407 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.453 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.564 1 O3'-P-O5' 95.714 -4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 P-O3'-C3' 123.698 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.026 1 O4'-C4'-C3' 110.6 5.0 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 123.994 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.633 2.194 0 C5'-C4'-C3' 110.416 -2.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.588 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.548 0 O4'-C4'-C3' 108.617 3.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.588 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.41 -3.3 0 C3'-C2'-C1' 98.532 -2.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 120.759 0.314 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -59.76 -26.56 65.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.421 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -73.53 -22.57 60.06 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -80.41 49.61 1.17 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.894 0.378 . . . . 0.0 110.73 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -146.82 90.84 5.37 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 19' ' ' PHE . 70.0 Cg_endo -76.26 -13.98 18.66 Favored 'Trans proline' 0 CA--C 1.549 1.261 0 C-N-CA 122.576 2.184 . . . . 0.0 113.148 -177.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -98.78 154.84 17.7 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.574 0.226 . . . . 0.0 110.79 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.6 158.61 44.03 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.818 0.342 . . . . 0.0 110.607 169.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 144.08 44.77 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.986 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.22 -2.79 58.08 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.02 127.99 77.78 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-O 120.64 0.257 . . . . 0.0 110.479 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.08 -12.47 32.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.679 2.252 . . . . 0.0 113.094 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.25 7.31 72.34 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.133 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -134.59 -72.18 0.48 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.367 0.267 . . . . 0.0 110.765 -175.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.25 32.17 0.93 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.001 0.52 . . . . 0.0 111.645 -176.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -79.77 175.4 10.65 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -113.77 151.31 32.17 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.14 0.495 . . . . 0.0 111.415 -173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.691 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -139.59 161.23 38.0 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.384 -176.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 50.3 t80 -107.91 -45.5 3.97 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.313 -175.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 85.5 mttt -92.91 117.95 30.6 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 tp -45.14 -47.94 12.21 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.728 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -67.86 -45.85 73.41 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.669 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.95 -30.42 71.55 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.063 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.27 -39.44 65.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.099 170.021 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.83 77.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.64 80.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.673 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.97 -39.87 79.21 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 120.643 0.259 . . . . 0.0 110.616 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -59.27 -35.08 73.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.26 69.2 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.48 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -45.53 80.39 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.602 0.239 . . . . 0.0 110.842 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -75.94 -21.29 57.19 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -51.03 -33.57 25.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.68 31.12 9.09 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 116.446 -0.343 . . . . 0.0 112.541 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -126.54 18.12 7.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.707 0.253 . . . . 0.0 110.943 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -94.31 106.7 24.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -73.62 81.52 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.439 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.728 ' HB3' HD22 ' A' ' 54' ' ' LEU . 55.7 m-85 -77.39 159.71 29.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -132.67 150.08 52.21 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.74 138.69 56.97 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.893 0.378 . . . . 0.0 110.769 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -98.66 8.71 44.61 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.019 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -70.73 159.46 34.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.118 0.485 . . . . 0.0 111.094 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -63.94 -37.21 86.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.404 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -128.58 62.61 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 33.9 t -147.61 171.7 15.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.592 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -157.65 15.46 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -76.57 145.61 38.88 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 149.24 40.03 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.129 0.49 . . . . 0.0 110.853 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.0 m-85 -130.96 164.66 24.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.2 p -103.68 -9.9 18.78 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.58 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -138.89 156.0 47.63 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-O 121.004 0.43 . . . . 0.0 110.941 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -40.52 85.65 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.65 176.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -69.31 -34.46 74.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.36 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -64.85 -46.58 81.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.692 0.282 . . . . 0.0 110.387 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -62.13 -46.5 88.74 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.794 174.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.61 -42.4 88.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.449 0.166 . . . . 0.0 110.893 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -61.08 -47.49 86.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.713 0.292 . . . . 0.0 110.341 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.4 t60 -60.64 -45.29 94.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.764 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -53.5 -38.27 63.55 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.06 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -33.28 66.45 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.202 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -63.44 -36.67 84.51 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.517 0.199 . . . . 0.0 111.069 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -84.21 -33.36 24.16 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.138 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.9 p -88.0 -23.87 23.69 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.48 7.25 63.93 Favored Glycine 0 CA--C 1.547 2.041 0 C-N-CA 121.587 -0.339 . . . . 0.0 113.207 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.6 t -52.5 -50.74 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 116.973 0.386 . . . . 0.0 111.225 -174.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 50.77 66.07 5.94 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.11 -19.68 22.54 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.744 2.296 . . . . 0.0 113.333 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' HB3' HD13 ' A' ' 82' ' ' LEU . 94.3 m-85 -81.85 91.7 6.57 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.767 0.318 . . . . 0.0 110.393 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -91.96 135.97 33.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.721 0.296 . . . . 0.0 110.673 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.68 135.35 55.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.472 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -19.69 65.8 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.279 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -76.53 0.53 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.009 -171.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -86.7 -5.02 59.24 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.504 0.192 . . . . 0.0 111.374 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 66.94 19.49 10.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.776 0.431 . . . . 0.0 111.409 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.29 140.5 58.5 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 172.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -105.5 132.59 51.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.647 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -128.8 156.26 43.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.449 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -100.01 -0.81 38.5 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.441 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -138.8 135.75 34.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -64.22 -32.08 73.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.136 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -68.15 -34.95 77.28 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.09 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -69.8 -40.86 75.72 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.851 -0.159 . . . . 0.0 110.626 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.0 tt -66.58 -44.71 81.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.479 0.18 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -62.0 -36.25 80.97 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.1 m -68.24 -49.52 60.12 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.631 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -64.64 -30.12 71.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -54.23 -40.81 68.03 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.787 0.435 . . . . 0.0 110.8 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -61.96 -23.14 66.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.039 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -58.07 -42.79 86.27 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.767 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -86.7 -24.34 25.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.73 -6.2 52.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.472 -171.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.42 56.69 Favored Glycine 0 CA--C 1.545 1.942 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.242 -177.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.28 108.64 17.88 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.876 0.369 . . . . 0.0 111.042 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.54 85.48 60.22 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.359 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.0 -18.33 3.6 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 122.777 2.318 . . . . 0.0 112.965 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.3 m-85 -83.51 79.92 9.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.898 0.38 . . . . 0.0 110.956 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.4 t -78.85 146.1 33.84 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.63 176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' HD11 ' A' ' 112' ' ' LEU . 13.4 t -70.38 161.14 31.02 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.31 171.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -124.04 1.58 8.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.859 -175.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -61.64 147.18 89.15 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.812 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.51 27.05 0.35 Allowed 'Trans proline' 0 CA--C 1.552 1.375 0 C-N-CA 123.103 2.535 . . . . 0.0 112.953 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.2 m -164.58 35.93 0.07 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.421 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 47.3 t -136.35 168.51 19.29 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.262 0.554 . . . . 0.0 111.315 -176.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.28 24.18 0.13 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.192 175.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -92.94 148.34 22.09 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.497 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -128.54 152.61 48.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.3 159.57 37.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.06 -5.26 50.83 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.278 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -135.62 144.47 46.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 12.9 p -58.25 -48.01 81.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.694 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.1 -33.75 76.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.315 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.75 -43.77 97.53 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.8 tp -65.75 -39.83 91.49 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.053 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.8 t -58.29 -45.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.636 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -54.29 -50.03 68.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.538 0.209 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -56.7 -38.57 72.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.894 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -17.66 63.64 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.035 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.4 mtp -107.25 3.99 26.11 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.423 0.289 . . . . 0.0 110.931 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.63 0.252 . . . . 0.0 111.001 -172.455 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.147 0 O4'-C4'-C3' 109.328 3.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 P-O3'-C3' 122.495 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.384 -3.615 1 O4'-C1'-C2' 100.609 -4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.462 1 O4'-C4'-C3' 109.727 4.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.448 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.405 -3.741 0 C2'-C3'-O3' 119.493 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.457 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 4 C5'--C4' 1.569 7.227 0 C2'-C3'-O3' 118.141 2.793 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.657 4.199 0 O3'-P-O5' 97.775 -3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.596 2 O4'-C4'-C3' 110.218 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C4'-C3' 109.39 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.509 -1.898 0 O3'-P-O5' 98.192 -3.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.403 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.553 5.308 2 C5'-C4'-C3' 105.572 -6.085 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.403 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.421 0 O4'-C4'-C3' 109.274 3.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.293 0 O4'-C4'-C3' 108.516 2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 2 O4'-C4'-C3' 110.326 4.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 C3'-C2'-C1' 106.414 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.692 1 P-O3'-C3' 124.8 4.25 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.81 1 O5'-C5'-C4' 117.958 5.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.884 1 C5'-C4'-C3' 108.638 -4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.088 0 P-O3'-C3' 123.047 2.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.666 1 O4'-C4'-C3' 111.1 5.5 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 2.716 0 O3'-P-O5' 98.601 -2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.349 1 P-O3'-C3' 125.253 4.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O3'-P-O5' 100.28 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.42 3 O4'-C1'-C2' 99.017 -6.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.365 0 O3'-P-O5' 98.011 -3.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.548 4.613 2 O4'-C1'-C2' 99.678 -5.838 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.573 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 1 P--O5' 1.643 4.964 0 O4'-C4'-C3' 108.994 3.394 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.573 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.548 4.566 0 O3'-P-O5' 97.813 -3.256 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.703 0 CA-C-O 120.589 0.233 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -61.66 -15.7 42.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.315 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -73.68 -16.71 61.2 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.892 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -74.86 74.69 2.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.872 0.368 . . . . 0.0 110.229 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -59.93 -52.18 75.42 Favored Pre-proline 0 CA--C 1.561 1.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.533 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.73 127.27 9.41 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 122.135 1.89 . . . . 0.0 112.773 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.25 169.29 11.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.972 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.0 mtp -136.29 158.71 43.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 169.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.09 144.9 42.69 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.891 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.37 0.26 53.36 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 52.8 t80 -83.23 124.93 75.64 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 122.399 -0.188 . . . . 0.0 110.72 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.59 -25.63 50.96 Favored 'Trans proline' 0 C--N 1.364 1.348 0 C-N-CA 122.921 2.414 . . . . 0.0 113.451 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.34 1.12 85.99 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.582 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 t -127.93 -77.58 0.57 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.488 0.315 . . . . 0.0 110.608 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.15 26.94 14.33 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -85.62 -176.82 6.22 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.77 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 148.34 34.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.092 0.472 . . . . 0.0 111.31 -171.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 67.2 m-85 -133.83 170.08 16.11 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.991 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -124.0 -4.62 8.0 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.595 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -141.72 127.42 19.14 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.589 0.233 . . . . 0.0 110.658 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.65 -50.1 55.34 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.965 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.07 -45.88 72.61 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.649 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -31.64 72.95 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 120.672 0.272 . . . . 0.0 110.41 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.17 -38.75 66.08 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.171 170.012 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.0 -38.51 79.37 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.702 0.287 . . . . 0.0 110.359 174.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.6 tpt -65.03 -46.49 81.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.652 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.1 -35.64 71.72 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m -59.2 -34.51 72.24 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.71 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.524 HH22 ' N4 ' ' C' ' 138' ' ' ' DC' . 14.1 mmp_? -55.25 -38.18 68.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.925 -0.125 . . . . 0.0 110.737 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -42.01 77.41 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.701 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 66.2 m-70 -88.58 -21.21 24.16 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.796 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -13.29 1.4 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.738 0.415 . . . . 0.0 111.696 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.53 38.0 1.95 Allowed Glycine 0 CA--C 1.542 1.777 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -127.04 11.18 7.03 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.05 120.03 72.21 Favored Pre-proline 0 CA--C 1.55 0.952 0 O-C-N 122.227 -0.296 . . . . 0.0 110.59 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.34 104.94 1.77 Allowed 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.638 2.225 . . . . 0.0 112.57 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 54' ' ' LEU . 75.7 m-85 -101.93 165.4 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.76 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -132.42 150.72 52.1 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.68 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.55 136.09 32.97 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 120.917 0.389 . . . . 0.0 111.129 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -75.63 -11.17 59.96 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.267 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -70.41 123.06 20.83 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.86 0.362 . . . . 0.0 110.477 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 8.3 0.66 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -171.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -132.98 10.38 4.22 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.131 0.172 . . . . 0.0 111.328 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.0 t -109.36 156.64 19.76 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 29.91 3.89 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.722 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.16 146.85 23.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.46 149.9 50.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.804 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 77.2 m-85 -132.64 164.62 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.654 -174.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 p -105.38 -5.81 20.1 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -144.15 150.11 37.55 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -40.61 74.85 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.37 -37.68 83.56 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.292 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.47 -47.85 83.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.672 0.272 . . . . 0.0 110.337 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -61.89 -47.05 86.71 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -59.08 -40.2 84.5 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.136 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -65.88 -43.85 87.07 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 81.2 t60 -60.77 -39.04 87.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.02 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -53.33 -38.22 63.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.184 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 7.9 mmp_? -55.35 -33.24 63.22 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.443 0.163 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.91 -36.81 84.6 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.344 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.71 -34.99 19.52 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.638 0.256 . . . . 0.0 111.044 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 p -83.24 -21.78 33.28 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.204 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.01 -2.14 44.24 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 121.784 -0.246 . . . . 0.0 112.977 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.423 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 8.3 p -69.98 147.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 111.123 -174.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -130.95 82.08 65.11 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.186 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -66.19 -23.88 52.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.801 2.334 . . . . 0.0 113.562 -169.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB3' HD13 ' A' ' 82' ' ' LEU . 47.0 m-85 -95.68 127.51 41.77 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -176.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -124.1 137.84 54.51 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.3 t -69.33 144.85 53.39 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.713 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -9.84 55.55 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 175.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -66.09 0.94 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.946 -172.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.81 -8.33 49.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.549 0.214 . . . . 0.0 111.106 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.79 20.06 10.65 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -80.79 155.97 26.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 120.596 0.236 . . . . 0.0 110.534 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -114.39 146.85 40.07 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.097 0.475 . . . . 0.0 111.318 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -136.22 158.62 43.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.99 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -98.13 4.77 49.05 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.619 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.25 140.58 39.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.723 0.296 . . . . 0.0 110.999 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -64.93 -34.77 79.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.901 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.49 -35.42 73.25 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.477 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -76.81 -36.03 57.19 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.641 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.7 tt -66.08 -47.14 75.24 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.406 0.145 . . . . 0.0 110.672 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.61 -36.43 83.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.708 0.29 . . . . 0.0 110.648 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -63.76 -49.39 73.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.629 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.446 ' O ' ' HB ' ' A' ' 88' ' ' THR . 54.0 t60 -63.67 -30.99 72.03 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.9 m -60.64 -41.49 95.04 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.202 -0.311 . . . . 0.0 110.374 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -65.29 -23.15 66.95 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.951 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 64.2 m -70.65 -31.84 68.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.858 -0.156 . . . . 0.0 110.756 175.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.97 -23.1 27.03 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.62 0.247 . . . . 0.0 110.847 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.0 m -91.81 -6.11 52.26 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.109 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.63 16.27 50.24 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.271 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.82 98.18 5.49 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.903 0.382 . . . . 0.0 110.589 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -118.56 82.61 19.9 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -83.36 -16.6 6.94 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.761 2.307 . . . . 0.0 113.006 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 109' ' ' SER . 92.5 m-85 -84.08 76.79 10.04 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.828 0.347 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 p -82.17 144.74 30.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.6 t -70.44 161.12 31.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -113.2 -4.45 13.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.095 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -67.21 134.64 93.48 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.51 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.66 37.86 0.59 Allowed 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 123.026 2.484 . . . . 0.0 113.003 -171.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.6 m -165.62 35.38 0.06 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.261 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 t -147.93 -87.13 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.186 -170.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.91 27.46 16.83 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.538 -173.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.06 158.93 35.05 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -128.43 148.82 50.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.011 0.434 . . . . 0.0 111.535 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -132.9 160.1 38.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.576 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.51 2.06 47.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -135.68 136.22 40.72 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.97 0.415 . . . . 0.0 110.655 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.407 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.3 t -57.04 -45.21 83.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.553 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.01 -33.49 75.67 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.52 -42.47 96.51 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.7 tp -66.66 -40.23 88.56 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.013 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.22 -44.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 120.67 0.272 . . . . 0.0 110.272 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.79 -46.65 87.02 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.656 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.31 -48.87 70.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.786 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -56.78 -39.78 74.69 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.012 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -71.79 -15.63 62.16 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 120.497 0.189 . . . . 0.0 111.175 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.9 mtt -107.98 8.42 28.38 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.441 0.296 . . . . 0.0 110.873 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.345 0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.014 -173.754 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.695 0 C5'-C4'-C3' 111.038 -2.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.362 1 C4'-C3'-C2' 107.668 4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . 0.412 " H1'" ' C8 ' ' B' ' 127' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.874 1 P-O3'-C3' 125.918 5.181 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . 0.412 ' C8 ' " H1'" ' B' ' 126' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.556 5.586 0 P-O3'-C3' 123.31 3.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.755 0 C3'-C2'-C1' 98.038 -3.33 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.204 3 C4'-C3'-C2' 97.671 -5.529 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.388 -5.305 3 C4'-C3'-C2' 96.107 -7.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.543 2 C5'-C4'-O4' 116.563 4.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.642 2.955 3 O4'-C1'-C2' 99.226 -6.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.472 ' C8 ' ' H72' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O3'-P-O5' 98.473 -2.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.472 ' H72' ' C8 ' ' B' ' 133' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.605 11.745 2 C5'-C4'-C3' 108.305 -4.263 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.456 ' C4 ' ' C2 ' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.554 5.416 0 O5'-C5'-C4' 115.112 3.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O3'-P-O5' 90.946 -6.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.139 2 P-O3'-C3' 126.694 5.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . 0.524 ' N4 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.562 0 O4'-C4'-C3' 109.358 3.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.56 0 P-O3'-C3' 123.906 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.919 1 O5'-C5'-C4' 116.06 4.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 1 O4'-C1'-C2' 101.69 -4.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 0 O3'-P-O5' 96.78 -3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.795 1 C5'-C4'-C3' 105.316 -6.256 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.549 4.732 1 P-O3'-C3' 126.21 5.425 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.162 1 O5'-C5'-C4' 117.405 5.147 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 7.741 1 P-O3'-C3' 126.352 5.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.41 0 O3'-P-O5' 96.493 -3.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.15 1 P-O3'-C3' 124.839 4.283 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 O4'-C4'-C3' 108.907 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.613 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.847 1 O4'-C4'-C3' 111.122 5.522 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.613 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.398 -2.647 0 O4'-C4'-C3' 108.439 2.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -67.78 -14.65 63.13 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.536 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -89.13 -34.18 16.81 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.513 0.197 . . . . 0.0 110.999 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -166.95 155.77 10.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.468 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -64.49 153.52 86.61 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.67 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -76.64 177.02 9.35 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.608 2.206 . . . . 0.0 112.404 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -130.17 164.01 25.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.39 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -136.49 158.6 44.06 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.66 146.18 46.73 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.8 -7.4 43.49 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.693 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -76.66 121.07 84.2 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 122.304 -0.247 . . . . 0.0 110.747 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.04 101.99 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.664 2.243 . . . . 0.0 112.044 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.7 -34.21 2.19 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.657 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -93.32 -79.25 0.41 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m120 49.19 31.79 3.82 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.275 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -79.34 166.74 21.76 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.75 159.49 14.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.499 0.666 . . . . 0.0 111.719 -170.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.742 ' CD2' HD23 ' A' ' 24' ' ' LEU . 72.0 m-85 -144.74 170.3 16.37 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.613 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -120.44 -47.33 2.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.562 0.22 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 71.7 mmtt -86.52 121.39 28.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.691 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.05 -45.44 32.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.76 175.548 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -46.1 71.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.45 -30.16 70.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.342 -177.006 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.43 -39.1 65.27 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.295 169.754 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -58.28 -38.54 77.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -46.56 70.88 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.02 -39.48 78.46 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.365 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -59.29 -34.89 72.83 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.837 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.9 ttp85 -55.7 -38.43 69.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.85 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -56.48 -42.3 78.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.596 0.236 . . . . 0.0 110.57 177.548 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -82.42 -21.48 35.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.401 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -24.03 67.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.06 11.21 69.63 Favored Glycine 0 CA--C 1.543 1.789 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.354 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -124.46 4.45 8.35 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.613 0.365 . . . . 0.0 111.123 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 115.51 42.78 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.497 0.189 . . . . 0.0 110.573 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.03 108.24 2.41 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.586 2.191 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.776 ' HB3' HD22 ' A' ' 54' ' ' LEU . 66.9 m-85 -110.35 160.07 16.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 173.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -132.47 145.34 51.11 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.01 132.15 46.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.869 0.366 . . . . 0.0 110.663 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.06 -2.94 50.2 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.247 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.63 119.84 13.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -64.99 -5.84 7.18 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -169.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -121.08 10.13 10.68 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 122.129 0.171 . . . . 0.0 111.318 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -99.88 170.93 8.18 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 110.695 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -151.31 34.56 0.57 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.709 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -108.84 142.93 38.71 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.912 0.387 . . . . 0.0 110.677 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -121.81 148.13 45.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 84.3 m-85 -126.25 164.63 20.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.301 -177.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -106.38 2.11 26.25 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.612 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -153.57 152.77 31.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.216 0.532 . . . . 0.0 111.198 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -42.09 84.79 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.007 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -34.15 74.07 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.305 -176.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -62.86 -48.39 79.21 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.667 0.27 . . . . 0.0 110.344 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.2 tp -62.26 -49.83 74.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 177.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -57.05 -44.14 82.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.575 0.226 . . . . 0.0 110.881 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -58.67 -45.71 88.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.402 173.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 72.6 t60 -60.61 -36.85 79.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.934 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -53.36 -38.21 63.11 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.825 -0.17 . . . . 0.0 111.29 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -33.14 63.19 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 122.359 -0.213 . . . . 0.0 110.929 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.72 -37.41 81.64 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.428 0.156 . . . . 0.0 111.176 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -87.59 -38.51 15.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.645 0.259 . . . . 0.0 111.083 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -78.44 -20.69 50.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.181 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.96 -0.66 71.71 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 116.603 -0.271 . . . . 0.0 112.631 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.76 124.26 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.946 0.403 . . . . 0.0 110.948 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -119.29 87.59 35.78 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.919 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.52 -17.49 7.43 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.578 2.185 . . . . 0.0 113.226 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -87.71 90.37 8.35 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.729 0.299 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -97.22 140.78 31.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.806 0.336 . . . . 0.0 110.995 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.43 140.41 55.78 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -12.77 58.58 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.941 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -63.81 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.2 p -98.58 -4.16 34.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.539 0.209 . . . . 0.0 111.44 -175.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 60.86 21.07 11.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.786 0.434 . . . . 0.0 111.607 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 tpt85 -73.43 146.29 45.16 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.363 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -100.93 148.17 25.31 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 110.907 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -140.08 156.16 46.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.984 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 p -99.38 -8.78 24.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.695 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.698 HH21 ' CE1' ' A' ' 81' ' ' HIS . 29.0 mtm180 -136.82 141.7 42.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.869 0.366 . . . . 0.0 110.956 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 p -64.74 -32.74 74.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.226 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -66.51 -36.42 82.68 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.074 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.698 ' CE1' HH21 ' A' ' 78' ' ' ARG . 5.1 m-70 -75.21 -36.5 61.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.895 176.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.72 -47.55 74.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.461 0.172 . . . . 0.0 110.555 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.4 -34.41 77.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.636 0.255 . . . . 0.0 110.641 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 m -66.8 -49.56 65.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.718 0.294 . . . . 0.0 110.584 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.64 -31.89 73.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -54.26 -41.01 68.31 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 122.722 0.409 . . . . 0.0 110.79 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -62.11 -23.11 66.34 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.997 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 m -59.05 -44.72 91.84 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.657 0.265 . . . . 0.0 110.917 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -82.47 -22.48 35.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.706 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.8 -6.26 52.03 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.253 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.97 20.18 57.43 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.44 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 102.21 14.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -171.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -123.77 87.83 52.45 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.39 -15.91 3.36 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.752 2.301 . . . . 0.0 112.961 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -85.6 76.57 9.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.9 p -78.95 145.58 33.92 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.8 t -70.28 161.19 30.81 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 172.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.92 5.55 7.3 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -59.7 148.48 75.12 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-O 120.714 0.293 . . . . 0.0 110.627 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.51 27.45 0.31 Allowed 'Trans proline' 0 CA--C 1.553 1.434 0 C-N-CA 123.031 2.487 . . . . 0.0 113.316 -169.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 m -164.21 20.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.824 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.554 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 24.9 t -118.69 168.88 10.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.331 0.586 . . . . 0.0 111.628 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.16 15.95 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.177 178.239 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 26.6 mtmm -85.5 147.97 26.19 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -172.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -128.6 148.63 50.8 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.08 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -129.59 159.43 36.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.606 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.46 -1.5 50.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -133.7 137.88 45.52 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.936 0.398 . . . . 0.0 110.698 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -57.25 -45.97 83.46 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.84 -33.5 75.73 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.631 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.7 -43.11 98.19 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.95 -40.34 91.26 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.026 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.17 -44.47 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.33 -46.64 87.81 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.595 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -54.32 -49.25 70.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.716 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.67 -40.17 75.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.025 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -72.0 -15.62 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.471 0.177 . . . . 0.0 111.139 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.5 mtt -108.09 7.11 27.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.401 0.28 . . . . 0.0 110.828 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.686 0.279 . . . . 0.0 110.959 -173.65 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 C5'-C4'-C3' 111.209 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C4'-C3' 107.809 2.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.648 0 C1'-O4'-C4' 104.176 -3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 2 O4'-C4'-C3' 111.193 5.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.263 1 O4'-C4'-C3' 110.047 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.71 0 O3'-P-O5' 97.747 -3.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 C5'-C4'-C3' 106.515 -5.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.968 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O3'-P-O5' 96.273 -4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 1 C5'-C4'-C3' 108.577 -4.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.584 4 C5'-C4'-C3' 106.604 -5.397 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.541 3 O4'-C4'-C3' 111.511 5.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.57 5.205 1 O3'-P-O5' 95.864 -4.282 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -4.964 2 O4'-C4'-C3' 113.671 8.071 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.478 1 O5'-C5'-C4' 116.716 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.16 1 P-O3'-C3' 125.092 4.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.672 1 O5'-C5'-C4' 116.316 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.636 1 P-O3'-C3' 125.506 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.777 0 P-O3'-C3' 123.386 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.63 1 O4'-C4'-C3' 109.834 4.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.407 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.401 -2.438 1 P-O3'-C3' 124.734 4.195 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 145' ' ' ' DC' . . . . . 0.407 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.125 0 O4'-C4'-C3' 108.26 2.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.215 0 O4'-C1'-C2' 102.628 -3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.7 0 O4'-C4'-C3' 108.954 3.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 1 P-O3'-C3' 125.367 4.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.816 0 O4'-C4'-C3' 109.257 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.525 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.551 2.277 1 O4'-C4'-C3' 110.63 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 151' ' ' ' DG' . . . . . 0.525 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.302 0 P-O3'-C3' 123.683 3.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 86.4 m-85 . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 120.837 0.351 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.42 158.69 43.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 168.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.52 140.06 46.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.03 0.93 57.43 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -80.55 126.96 77.23 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -68.45 -15.11 41.42 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.716 2.277 . . . . 0.0 113.103 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.72 -4.33 85.26 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 121.329 -0.462 . . . . 0.0 112.322 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -124.89 -75.89 0.59 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.431 0.292 . . . . 0.0 110.656 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.28 26.95 7.34 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.371 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -82.27 170.83 14.94 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.365 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -98.88 154.72 17.82 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.307 0.575 . . . . 0.0 111.652 -172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 24' ' ' LEU . 73.2 m-85 -140.33 168.67 19.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.708 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.46 -35.2 3.14 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.311 -174.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.5 mppt? -103.82 118.15 36.02 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.295 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 1.9 pt? -49.16 -44.03 42.43 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.622 0.249 . . . . 0.0 111.098 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -68.06 -45.31 74.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.9 -29.42 70.6 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.599 0.237 . . . . 0.0 110.539 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.22 -38.97 65.87 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.005 169.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.46 76.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 174.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.22 -47.72 72.92 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.86 -41.17 81.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.055 0.455 . . . . 0.0 110.584 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 t -59.07 -30.14 67.85 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.064 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -55.09 -38.07 67.64 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -40.08 73.38 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.512 176.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -81.23 -21.4 39.54 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -57.47 -23.25 48.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 122.296 -0.252 . . . . 0.0 111.019 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.55 21.4 39.08 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 116.529 -0.305 . . . . 0.0 112.418 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -128.97 16.52 6.24 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.511 0.324 . . . . 0.0 111.374 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -105.04 102.32 35.3 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 122.226 0.21 . . . . 0.0 110.574 -178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.32 86.3 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.6 2.2 . . . . 0.0 113.165 -170.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 54' ' ' LEU . 78.9 m-85 -75.64 166.55 23.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.684 169.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.47 153.37 50.95 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.761 0.315 . . . . 0.0 110.691 175.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.46 143.06 46.83 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.01 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.11 -10.27 42.55 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 42.6 m-85 -70.27 156.37 39.36 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.038 0.446 . . . . 0.0 111.334 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -88.74 -8.74 53.93 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.594 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.56 13.76 29.53 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 1.9 t -138.71 173.11 11.92 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.98 175.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -160.87 29.84 0.15 Allowed 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -85.8 161.81 18.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.596 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -130.24 141.38 50.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.5 m-85 -128.35 139.35 52.44 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.7 p -86.98 2.13 50.52 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -141.26 148.51 39.97 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 120.901 0.381 . . . . 0.0 110.747 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -44.52 92.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.26 -37.63 88.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -62.51 -48.85 77.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.499 0.19 . . . . 0.0 110.752 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' TYR . 41.1 tp -62.2 -48.1 81.49 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.648 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.3 -41.34 88.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.532 0.206 . . . . 0.0 111.1 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.21 -47.46 82.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.254 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.4 t60 -60.74 -37.64 82.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.333 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -53.16 -38.33 62.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.543 0.211 . . . . 0.0 110.5 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -56.98 -33.23 66.89 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.556 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.25 -31.75 63.84 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.45 0.167 . . . . 0.0 111.054 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 85.0 m-70 -90.13 -39.81 12.63 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.1 p -77.24 -25.01 51.12 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.568 0.223 . . . . 0.0 111.137 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.92 4.65 88.64 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.577 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.7 126.83 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.004 0.43 . . . . 0.0 110.732 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -131.16 79.93 69.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.317 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.7 -16.65 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.783 2.322 . . . . 0.0 113.257 -171.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.679 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.9 m-85 -86.27 96.78 10.07 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -104.11 134.95 46.51 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 120.974 0.416 . . . . 0.0 110.953 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.12 140.59 58.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.903 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -77.64 -18.88 56.3 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 -65.25 1.01 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -172.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -99.96 -2.67 34.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.605 0.241 . . . . 0.0 111.37 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.27 22.83 13.13 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -65.51 155.28 36.13 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -121.45 133.98 55.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.21 162.62 27.42 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.23 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t -113.1 4.62 16.71 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.441 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -136.07 127.64 28.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.29 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -58.65 -32.76 69.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.995 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.77 -40.6 88.29 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.071 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -67.68 -43.02 81.15 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.608 175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.4 tt -65.69 -47.57 75.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.298 0.094 . . . . 0.0 110.829 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.42 -34.5 77.87 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.565 0.221 . . . . 0.0 110.448 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -49.54 68.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' O ' ' HB ' ' A' ' 88' ' ' THR . 52.6 t60 -64.02 -31.7 72.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -57.52 -41.42 80.83 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.518 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -65.28 -24.53 67.33 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.115 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 35.2 m -67.21 -34.08 76.73 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.385 0.136 . . . . 0.0 110.75 174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -86.39 -22.04 26.83 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.529 0.204 . . . . 0.0 110.898 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.053 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.04 14.15 55.16 Favored Glycine 0 CA--C 1.545 1.914 0 C-N-CA 121.467 -0.397 . . . . 0.0 112.429 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.76 98.13 6.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.941 0.401 . . . . 0.0 110.615 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.18 80.14 27.53 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.73 -14.02 7.91 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.817 2.345 . . . . 0.0 112.936 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.12 74.44 10.48 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.823 0.344 . . . . 0.0 110.695 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -85.56 144.24 28.02 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.913 0.387 . . . . 0.0 110.752 176.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.03 154.44 41.94 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.251 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -111.74 0.32 16.22 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.292 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 16.6 m95 -64.97 157.27 76.95 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-O 120.511 0.196 . . . . 0.0 110.706 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 99' ' ' TRP . 31.6 Cg_exo -68.48 7.35 0.71 Allowed 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 122.827 2.351 . . . . 0.0 113.991 -170.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 m -174.88 74.4 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.589 0.233 . . . . 0.0 110.611 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.4 t -164.48 -80.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.896 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 62.41 14.93 7.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.153 0.581 . . . . 0.0 111.864 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -55.22 137.74 46.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -109.46 140.27 43.41 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.136 0.493 . . . . 0.0 111.555 -169.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -130.62 160.37 34.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.51 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.44 2.11 49.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -135.92 136.42 40.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.094 0.473 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 p -57.18 -47.11 82.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.76 -33.51 76.03 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.604 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.54 -44.82 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.82 -39.07 93.34 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.833 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.8 t -59.13 -47.48 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 120.463 0.173 . . . . 0.0 110.723 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -63.6 -46.48 85.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.4 -45.71 72.98 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.857 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -60.89 -33.88 73.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.1 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -71.53 -15.65 62.3 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.527 0.204 . . . . 0.0 110.931 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.7 tpp -79.11 -16.41 56.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.048 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 C--N 1.349 0.558 0 CA-C-O 120.79 0.329 . . . . 0.0 110.479 176.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.674 0.273 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.2 mtm -136.29 158.81 43.54 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 169.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.31 136.21 46.16 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.098 0.475 . . . . 0.0 110.858 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.3 -14.76 59.28 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.665 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 41.6 t80 -74.64 122.42 87.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 CA-C-O 120.409 0.147 . . . . 0.0 110.975 -175.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -56.71 -24.63 55.98 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 122.95 2.434 . . . . 0.0 113.395 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.24 -4.97 90.02 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.307 -0.473 . . . . 0.0 112.434 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 t -126.5 -73.65 0.61 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.467 0.307 . . . . 0.0 110.788 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 45.29 38.55 3.57 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.788 0.435 . . . . 0.0 111.395 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -80.45 -179.65 7.26 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 171.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -104.46 154.76 19.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.111 0.482 . . . . 0.0 111.233 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.702 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -140.92 167.63 21.72 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.76 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -122.71 -35.04 3.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 33.3 mmtp -103.7 116.51 32.47 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.381 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.686 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.69 -42.38 16.44 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 120.618 0.247 . . . . 0.0 110.996 179.064 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.565 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -45.92 72.05 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.89 -29.43 69.32 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.662 0.268 . . . . 0.0 110.32 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.32 -39.23 65.42 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.165 169.683 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -58.23 -38.9 77.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.677 0.275 . . . . 0.0 110.37 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmt -66.33 -46.87 75.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -57.93 -35.0 70.48 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -59.24 -35.06 72.99 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.39 69.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.642 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.514 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.26 -38.85 77.73 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 58.8 m-70 -86.2 -21.31 27.54 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -26.03 35.77 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.455 0.169 . . . . 0.0 111.277 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 -20.09 33.94 Favored Glycine 0 CA--C 1.551 2.294 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.51 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.79 -10.3 51.37 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.406 0.283 . . . . 0.0 110.99 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 65.6 8.84 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 122.813 0.445 . . . . 0.0 109.856 173.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.12 127.0 12.3 Favored 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 122.37 2.047 . . . . 0.0 112.473 -173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -73.4 162.4 29.35 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 169.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.75 152.43 51.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -66.91 154.33 41.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.421 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.37 11.57 13.09 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.74 -15.99 63.36 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.342 0.257 . . . . 0.0 111.381 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 75.79 -45.09 0.53 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.541 0.736 . . . . 0.0 111.151 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.64 25.03 0.94 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.71 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.3 t -148.5 -76.86 0.16 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 57.61 27.18 13.81 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -69.35 150.56 47.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -103.51 151.41 22.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 111.167 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 94.5 m-85 -135.78 164.63 27.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.1 p -108.28 1.55 22.04 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.793 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.8 mtm-85 -150.35 157.45 43.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.022 0.439 . . . . 0.0 111.057 174.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.53 87.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.629 176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.3 -36.49 77.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.439 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.436 HE21 ' NH2' ' A' ' 50' ' ' ARG . 61.0 mt-30 -63.69 -45.72 88.76 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.752 0.31 . . . . 0.0 110.192 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.5 tp -64.63 -47.6 77.96 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.981 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.27 -42.45 98.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 120.619 0.247 . . . . 0.0 110.999 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.99 -46.33 91.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.346 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 9.1 t60 -60.72 -41.75 95.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -53.44 -30.64 41.56 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 122.276 0.23 . . . . 0.0 111.496 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -54.95 -33.0 61.88 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.559 0.218 . . . . 0.0 110.587 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -55.8 -44.16 77.57 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -87.85 -39.02 15.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.6 p -70.44 -23.44 62.72 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.67 87.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 121.512 -0.375 . . . . 0.0 112.19 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.488 HG12 ' HD3' ' A' ' 66' ' ' PRO . 54.7 t -75.63 99.76 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.081 0.467 . . . . 0.0 110.726 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -115.84 77.88 6.85 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.979 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD3' HG12 ' A' ' 64' ' ' VAL . 83.3 Cg_endo -80.66 -20.38 7.99 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.848 2.365 . . . . 0.0 113.154 -170.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.607 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.1 m-85 -78.68 86.32 4.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -97.33 138.38 34.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.737 0.303 . . . . 0.0 110.649 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.68 133.5 52.29 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -12.64 59.2 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.96 -53.7 4.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.525 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 15.9 p -103.84 -104.28 0.3 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.172 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -164.59 11.04 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.94 120.14 9.07 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.506 -174.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -102.34 140.03 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.95 159.95 40.36 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.374 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.1 m -106.61 4.09 27.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -138.74 123.87 19.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -62.07 -28.18 69.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.283 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -66.51 -37.46 85.1 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 120.523 0.202 . . . . 0.0 111.042 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -74.55 -36.56 63.1 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.854 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -66.79 -47.67 71.39 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.7 -34.37 75.65 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.263 . . . . 0.0 110.646 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 m -66.89 -49.52 65.36 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.64 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.74 -30.74 71.81 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -54.19 -40.57 67.68 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.927 0.491 . . . . 0.0 110.678 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -61.79 -23.17 66.04 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.103 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 m -57.27 -43.7 83.33 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.678 0.275 . . . . 0.0 110.713 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.64 -22.08 24.93 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.778 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.1 m -91.79 -6.4 51.83 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.399 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.49 12.11 44.53 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.57 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.83 103.07 6.58 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.79 82.52 54.92 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -87.48 -13.31 4.24 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.806 2.337 . . . . 0.0 113.124 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -84.13 76.3 10.09 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.749 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 t -79.29 146.06 33.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.5 t -70.35 161.09 31.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.164 0.507 . . . . 0.0 110.953 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.48 2.61 8.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.95 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -63.81 149.26 93.38 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.83 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -68.03 20.34 0.13 Allowed 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.082 2.521 . . . . 0.0 113.868 -172.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 m -164.39 25.59 0.07 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.036 0.135 . . . . 0.0 110.985 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.519 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 45.0 t -141.45 163.71 32.2 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.389 0.614 . . . . 0.0 111.496 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.2 tp-100 -163.82 36.16 0.08 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.152 169.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.519 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -71.78 147.42 47.29 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.955 175.596 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.11 142.1 49.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.199 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -128.65 162.37 27.48 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.898 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.06 -2.85 39.28 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -134.68 144.23 47.68 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.144 0.497 . . . . 0.0 110.86 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.616 ' O ' HG13 ' A' ' 113' ' ' VAL . 13.5 p -57.65 -50.2 73.95 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.601 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.45 -33.48 75.65 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -60.51 -42.57 96.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.971 -0.456 . . . . 0.0 109.911 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -68.67 -40.39 80.19 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.144 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 109' ' ' SER . 17.4 m -60.9 -41.32 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -63.81 -46.6 84.4 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.675 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -54.4 -49.38 70.06 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.605 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.84 -37.76 74.44 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.977 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -17.82 63.87 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.506 0.194 . . . . 0.0 111.079 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.1 mtp -105.61 1.0 26.96 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.906 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -171.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.766 0.317 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.7 mtp -136.14 156.88 48.04 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 42.1 t -90.95 137.35 32.43 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.563 171.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.13 59.6 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.383 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 t80 -79.82 132.98 59.32 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.64 -34.35 25.49 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.411 2.074 . . . . 0.0 112.654 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.64 62.21 2.34 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 39.2 t -146.5 177.56 8.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.854 0.359 . . . . 0.0 110.129 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -70.5 -24.48 62.85 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.145 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 37.1 mtmm 64.53 23.64 12.92 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 123.562 0.745 . . . . 0.0 111.741 171.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -141.86 142.26 33.11 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.838 ' CD2' HD23 ' A' ' 24' ' ' LEU . 37.2 m-85 -145.01 170.23 16.56 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.68 -12.31 8.89 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB3' ' CG ' ' A' ' 23' ' ' HIS . 11.1 tppt? -131.81 132.54 43.83 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.261 0.224 . . . . 0.0 110.628 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -52.9 -53.14 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -67.91 -46.03 72.71 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.65 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.99 -30.16 71.13 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.36 -177.341 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.37 -40.69 64.16 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.378 170.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -58.25 -41.19 83.67 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.654 0.264 . . . . 0.0 110.397 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -44.74 79.09 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 36.5 t60 -57.93 -39.8 78.89 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 120.768 0.318 . . . . 0.0 110.7 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.24 -34.93 72.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.537 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -55.84 -38.48 70.11 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.69 -33.66 71.88 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.412 0.149 . . . . 0.0 111.169 -177.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.1 m-70 -79.5 -20.85 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -175.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -48.69 -33.0 9.29 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.69 0.82 59.61 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.662 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -103.13 3.52 35.96 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.749 0.275 . . . . 0.0 111.14 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -113.95 83.0 7.28 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 170.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.18 171.51 18.16 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.853 2.369 . . . . 0.0 113.308 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -137.01 176.0 9.1 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.519 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.7 157.7 44.22 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.648 0.261 . . . . 0.0 110.483 170.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -68.92 146.52 52.72 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 170.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.28 -9.92 46.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.039 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 14.9 t80 -72.51 109.95 6.55 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.92 0.391 . . . . 0.0 109.949 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -68.17 -13.17 62.03 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.088 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.0 -1.65 58.21 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.93 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 3.6 t -118.32 -66.34 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 52.8 32.42 12.24 Favored 'General case' 0 CA--C 1.561 1.397 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -72.07 155.26 40.49 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -113.52 145.81 40.62 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 98.8 m-85 -127.65 164.64 21.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.505 -176.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.2 p -105.16 -25.98 12.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.425 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -128.99 149.83 50.66 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.862 0.363 . . . . 0.0 110.768 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.1 t -61.48 -39.46 91.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -67.96 -33.84 75.42 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.56 -44.95 96.1 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.799 0.333 . . . . 0.0 110.277 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.86 -46.31 75.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.037 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -61.75 -41.19 97.35 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.431 0.158 . . . . 0.0 110.858 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -60.63 -47.49 86.01 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.721 0.296 . . . . 0.0 110.309 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 19.8 t60 -60.78 -41.75 96.19 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -53.44 -29.8 37.35 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 122.657 0.383 . . . . 0.0 111.508 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -55.01 -32.85 62.13 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 120.551 0.215 . . . . 0.0 110.685 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -55.67 -38.15 69.23 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.762 0.425 . . . . 0.0 111.542 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -99.04 -38.43 8.96 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.594 0.235 . . . . 0.0 111.235 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.8 p -72.23 -28.88 63.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.68 1.2 83.27 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.762 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.1 110.78 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.133 0.492 . . . . 0.0 110.713 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -114.92 83.47 9.47 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.13 -17.71 13.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.529 2.153 . . . . 0.0 113.408 -170.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.595 ' HB3' HD13 ' A' ' 82' ' ' LEU . 91.9 m-85 -87.67 89.21 7.91 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -98.66 130.02 45.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.718 0.295 . . . . 0.0 111.014 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.31 128.56 36.88 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.269 170.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mmpt? -80.1 -4.84 54.48 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.1 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -68.23 0.8 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.431 0.292 . . . . 0.0 110.665 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.46 -4.09 55.92 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.39 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 69.69 12.89 8.14 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.846 0.459 . . . . 0.0 111.517 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -70.79 147.5 48.87 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 120.604 0.24 . . . . 0.0 110.721 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -114.13 127.9 56.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.844 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -121.11 160.7 23.15 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.462 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.8 p -107.33 0.67 23.22 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -139.52 129.38 24.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 p -61.9 -33.47 74.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.32 -35.49 80.51 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -76.3 -37.12 57.91 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.883 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.92 -45.53 85.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.467 0.175 . . . . 0.0 110.558 176.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.66 -34.38 78.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.56 0.219 . . . . 0.0 110.612 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.9 m -65.3 -49.41 69.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.498 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.442 ' O ' ' HB ' ' A' ' 88' ' ' THR . 31.6 t60 -64.42 -31.16 72.25 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 177.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -55.71 -41.22 73.51 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.585 0.231 . . . . 0.0 110.503 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -63.08 -25.41 68.35 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.178 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 38.3 m -66.25 -37.16 84.85 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.341 0.115 . . . . 0.0 110.76 174.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -82.04 -22.36 36.47 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 0.0 110.721 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.3 m -91.87 -6.2 51.95 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.147 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.98 16.85 49.58 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 121.408 -0.425 . . . . 0.0 112.346 -175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -81.09 116.75 21.17 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 -172.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -126.92 83.84 64.78 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.35 -18.7 3.94 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.655 2.236 . . . . 0.0 112.924 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.8 m-85 -80.54 77.87 7.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.921 0.391 . . . . 0.0 110.702 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.7 m -78.83 140.77 38.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' A' ' 112' ' ' LEU . 12.2 t -70.34 148.32 48.59 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.893 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.3 -11.64 45.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.943 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -74.46 132.77 78.12 Favored Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.01 -47.88 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.58 2.187 . . . . 0.0 112.339 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -76.52 54.09 0.91 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.636 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.77 -84.02 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 53.97 30.7 12.16 Favored 'General case' 0 CA--C 1.562 1.412 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.678 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -70.98 154.85 41.47 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -128.43 127.6 42.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 111.037 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.68 162.62 16.03 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.976 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.54 0.28 41.99 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.223 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -137.06 137.92 39.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 110.609 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.8 p -57.12 -46.8 82.33 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.89 -33.72 75.89 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.585 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -60.72 -44.34 96.72 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 174.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 97' ' ' CYS . 52.2 tp -68.44 -37.82 80.58 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.112 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.3 t -58.23 -47.41 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.182 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.29 -46.45 90.28 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.48 -49.82 69.23 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.877 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -57.22 -37.28 72.0 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.574 0.226 . . . . 0.0 110.865 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -15.66 63.66 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.096 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -114.2 7.7 16.65 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.96 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.014 -173.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 158.61 44.04 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 169.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 13.6 t -78.66 145.79 34.41 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.927 0.394 . . . . 0.0 110.622 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.56 -1.77 55.06 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.811 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -75.21 124.86 89.48 Favored Pre-proline 0 CA--C 1.555 1.15 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.9 -28.39 58.53 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.917 2.411 . . . . 0.0 113.539 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.31 -3.79 86.74 Favored Glycine 0 CA--C 1.544 1.886 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.538 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.8 t -115.4 -81.36 0.61 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.611 0.364 . . . . 0.0 110.68 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.54 21.1 9.6 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.609 0.364 . . . . 0.0 111.061 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -81.78 162.61 22.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 120.619 0.247 . . . . 0.0 110.508 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.7 158.78 15.39 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.277 0.561 . . . . 0.0 111.731 -171.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.756 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.7 m-85 -144.88 170.18 16.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.895 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.25 -44.69 2.87 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.269 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 26.4 mtmm -95.29 121.1 36.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.589 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -50.8 -43.69 58.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.669 0.271 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.26 -46.08 71.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.681 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.11 -29.45 70.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.577 0.227 . . . . 0.0 110.478 -177.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.16 -40.38 64.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 170.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -38.46 76.22 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.712 0.292 . . . . 0.0 110.303 176.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -45.24 76.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 173.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -58.06 -45.39 87.16 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.194 -0.316 . . . . 0.0 110.638 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -59.23 -33.05 70.53 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.896 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.38 -37.89 68.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.568 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.25 -36.72 68.86 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.583 0.23 . . . . 0.0 111.148 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -71.42 -20.84 62.06 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -54.26 -20.16 6.57 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.32 16.81 57.68 Favored Glycine 0 CA--C 1.548 2.136 0 C-N-CA 121.674 -0.298 . . . . 0.0 112.486 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.28 20.98 6.75 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.446 0.298 . . . . 0.0 111.072 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -111.75 94.68 24.99 Favored Pre-proline 0 N--CA 1.475 0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.623 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.45 78.5 2.69 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.782 2.321 . . . . 0.0 112.496 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 54' ' ' LEU . 88.6 m-85 -71.05 165.96 22.39 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.087 169.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -132.47 148.11 52.39 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.586 0.232 . . . . 0.0 110.599 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -65.94 148.84 51.17 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 169.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -93.28 -12.58 29.76 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.148 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -69.18 115.58 8.63 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.782 0.325 . . . . 0.0 110.229 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -59.98 -30.44 69.12 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.96 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.93 9.23 10.48 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.513 0.197 . . . . 0.0 111.182 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.2 -74.07 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.532 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 48.12 34.05 4.04 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.616 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -78.8 155.72 29.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.786 0.327 . . . . 0.0 110.302 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.78 143.23 35.17 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 92.2 m-85 -129.62 139.36 51.46 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -82.75 -5.65 59.01 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -170.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -145.55 153.14 40.77 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 t -58.01 -42.05 84.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.803 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.04 -42.6 98.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.144 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.76 -49.73 75.24 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.707 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 37' ' ' TYR . 34.1 tp -62.31 -46.11 90.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.814 177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -59.46 -45.44 91.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.484 0.314 . . . . 0.0 111.055 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -62.0 -47.43 84.81 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.752 0.31 . . . . 0.0 110.266 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 18.0 t60 -60.67 -39.61 89.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -53.19 -36.7 61.23 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.621 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -33.1 61.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.005 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.58 -38.59 69.57 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.563 0.345 . . . . 0.0 111.135 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -83.77 -24.36 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.174 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -74.33 -32.4 62.8 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.505 0.193 . . . . 0.0 110.94 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.82 -7.33 42.8 Favored Glycine 0 CA--C 1.547 2.04 0 C-N-CA 121.646 -0.312 . . . . 0.0 112.601 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.79 132.48 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.845 0.355 . . . . 0.0 110.749 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -126.76 86.24 59.06 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.31 -19.68 6.47 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.724 2.283 . . . . 0.0 113.135 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.0 m-85 -82.31 88.37 6.54 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.49 135.81 34.38 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.685 0.278 . . . . 0.0 110.867 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.92 139.7 58.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.088 0.47 . . . . 0.0 110.565 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.497 ' H ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.01 -21.67 63.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 175.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -74.74 0.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -170.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -86.41 -6.22 58.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.324 0.25 . . . . 0.0 111.344 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 65.53 19.87 11.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 122.745 0.418 . . . . 0.0 111.418 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -66.12 135.46 54.61 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.44 137.63 42.03 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.86 160.56 32.24 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.395 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -105.72 1.5 27.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -138.18 133.31 33.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -67.06 -33.7 76.07 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.04 -35.49 80.68 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.963 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -68.8 -42.71 76.94 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.649 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.12 -47.56 76.7 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.401 0.144 . . . . 0.0 110.843 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.2 -36.18 79.19 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.67 0.271 . . . . 0.0 110.665 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 m -66.88 -49.66 64.93 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.69 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -63.32 -32.43 73.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.8 m -54.22 -41.15 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.629 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -63.65 -23.11 67.24 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.593 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 p -62.84 -25.96 68.52 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 120.55 0.214 . . . . 0.0 110.734 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -93.9 -28.81 15.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.199 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.71 -6.35 52.15 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.12 10.91 43.15 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.545 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -70.87 97.21 1.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -123.51 80.89 54.06 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.05 -16.09 10.07 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.633 2.222 . . . . 0.0 113.133 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.69 76.55 9.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.951 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.8 p -79.39 137.47 37.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.33 133.87 47.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.378 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -105.65 8.45 33.11 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.194 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -58.61 146.39 73.93 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.3 26.93 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.36 0 C-N-CA 123.075 2.516 . . . . 0.0 112.918 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 m -162.17 24.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.615 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.1 t -140.48 170.57 15.54 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.099 0.476 . . . . 0.0 111.186 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.447 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.0 tp-100 -166.53 27.29 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.438 173.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.93 151.78 38.86 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -128.49 129.74 46.5 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -118.09 160.72 21.05 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.988 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.52 -2.77 35.01 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -131.95 139.57 48.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.669 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.625 ' O ' HG13 ' A' ' 113' ' ' VAL . 31.9 t -57.13 -47.47 81.05 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.59 -33.36 75.73 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.583 0.353 . . . . 0.0 111.857 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.48 -40.99 93.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.834 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -69.77 -40.55 76.0 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.172 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 109' ' ' SER . 21.4 m -60.13 -41.55 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.54 -46.52 79.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.664 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.38 -45.03 80.72 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.643 0.258 . . . . 0.0 111.015 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.76 -34.22 69.32 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.0 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -72.41 -15.65 61.84 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.243 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.0 mtt -75.34 -19.0 59.86 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 120.407 0.146 . . . . 0.0 110.918 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 . . . . . 0 C--N 1.347 0.497 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 177.624 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 120.557 0.217 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.411 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 83.7 mtp -136.06 158.82 43.49 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.052 0.453 . . . . 0.0 111.52 -177.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.43 155.84 21.65 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.107 169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.13 5.75 20.3 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.732 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 13.4 t80 -97.21 125.46 45.61 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.608 0.242 . . . . 0.0 110.81 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -71.51 83.66 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.635 2.223 . . . . 0.0 112.261 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.46 -17.44 0.43 Allowed Glycine 0 CA--C 1.539 1.587 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.342 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 28.9 t -88.65 -171.75 3.45 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.205 0.526 . . . . 0.0 110.959 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 8.5 m-80 -61.19 -36.23 79.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.171 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.65 6.35 5.79 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.778 0.431 . . . . 0.0 110.966 -174.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 34.1 mmt180 -146.34 144.49 29.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.759 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.733 ' CD1' HD23 ' A' ' 24' ' ' LEU . 32.6 m-85 -144.81 169.99 16.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.291 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -117.44 -15.76 10.27 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 40.4 mmtm -131.14 123.88 29.52 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.689 0.281 . . . . 0.0 110.621 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.3 tp -49.03 -49.12 42.69 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 p -68.11 -46.03 72.07 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.013 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.18 -30.76 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 -177.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.42 -39.04 65.34 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.151 170.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -43.62 87.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -45.34 93.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 38.0 t60 -57.79 -34.1 69.24 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.612 0.244 . . . . 0.0 111.161 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -58.71 -34.39 71.27 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -54.76 -38.13 66.84 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.506 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 37.8 ttpt -56.41 -47.52 78.85 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.799 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.7 m-70 -89.87 -21.43 22.53 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -14.49 41.42 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.485 0.183 . . . . 0.0 111.087 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.41 5.06 33.24 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 116.411 -0.358 . . . . 0.0 112.412 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.12 -46.26 3.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.457 0.303 . . . . 0.0 110.872 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.24 90.77 25.45 Favored Pre-proline 0 N--CA 1.472 0.651 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.74 162.29 29.97 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.566 2.178 . . . . 0.0 112.59 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.02 171.33 10.82 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.708 169.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -132.47 152.0 51.69 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 t -54.87 134.29 48.21 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -99.29 9.77 42.71 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.41 163.18 21.4 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.065 0.46 . . . . 0.0 111.137 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -69.05 -27.67 65.85 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.422 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -140.57 71.55 1.37 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 120.892 0.377 . . . . 0.0 110.726 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.8 170.83 21.18 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.382 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -157.29 28.51 0.29 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.712 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -83.92 154.62 23.28 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -123.27 150.72 43.15 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 90.6 m-85 -132.45 164.69 26.0 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.603 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -104.65 -1.92 25.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.583 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -153.96 152.98 31.19 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 t -57.75 -34.14 69.22 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.002 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.0 -42.53 80.57 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.975 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.53 -42.94 99.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 110.382 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.3 tp -64.18 -47.88 78.12 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.036 176.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -63.32 -39.4 94.45 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 120.396 0.141 . . . . 0.0 111.068 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -58.89 -45.92 89.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 171.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.6 t60 -60.65 -41.43 94.96 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.74 -38.44 64.38 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.162 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -57.67 -33.25 68.14 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 122.429 -0.17 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -62.69 -38.13 89.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.466 0.175 . . . . 0.0 111.106 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -81.2 -39.85 24.77 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.9 p -80.01 -21.82 43.15 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.28 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.76 10.62 86.03 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 121.489 -0.386 . . . . 0.0 112.313 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 66' ' ' PRO . 51.9 t -70.42 102.28 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.939 0.4 . . . . 0.0 110.799 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -119.75 81.05 25.04 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 64' ' ' VAL . 84.9 Cg_endo -81.22 -19.58 7.87 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.701 2.267 . . . . 0.0 113.042 -171.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.645 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.5 m-85 -80.08 75.22 6.84 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.685 0.278 . . . . 0.0 110.545 -178.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -91.12 129.81 37.08 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.941 0.4 . . . . 0.0 111.298 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.71 129.35 39.48 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.754 173.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -90.49 -5.21 56.31 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -48.89 12.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 174.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 24.3 p -108.32 -104.38 0.36 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 171.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -163.0 6.39 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 175.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -62.12 120.04 10.11 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.661 -170.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -97.87 122.55 41.12 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 157.39 23.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 p -106.21 0.81 25.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -137.64 129.12 28.15 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.636 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 p -62.29 -26.99 68.71 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.284 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.76 -36.01 79.74 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.632 0.253 . . . . 0.0 111.132 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -76.81 -37.79 55.08 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.669 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.35 0.119 . . . . 0.0 110.716 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.92 -40.07 94.21 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.692 0.282 . . . . 0.0 110.625 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.0 m -61.77 -49.7 75.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.571 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -65.11 -34.73 79.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -57.72 -41.58 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.434 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -71.8 -22.87 61.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.791 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -30.1 71.05 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.775 170.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -89.59 -18.67 26.12 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.561 0.219 . . . . 0.0 110.809 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -95.41 -6.14 41.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.163 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.8 2.03 34.95 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.794 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.56 105.68 3.2 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.903 0.383 . . . . 0.0 111.032 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.84 85.71 45.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.06 -9.21 7.5 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.707 2.271 . . . . 0.0 113.347 -173.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.2 m-85 -90.44 79.14 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 t -78.73 145.98 34.15 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.678 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.3 t -70.29 161.26 30.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 171.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -127.54 8.05 6.4 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -67.32 148.37 98.74 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.696 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.68 33.36 0.37 Allowed 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.216 2.611 . . . . 0.0 113.131 -172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.4 p -164.47 7.94 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.389 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 17.7 t -101.62 171.52 7.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.423 0.63 . . . . 0.0 111.639 -171.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.473 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.93 22.7 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.041 -178.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -102.61 146.96 27.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.589 -173.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -128.56 149.58 50.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.008 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.82 162.24 27.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.667 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.58 -3.0 40.48 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -134.02 141.54 47.27 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.831 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 17.9 p -57.19 -48.49 78.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.431 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.02 -33.5 75.89 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.665 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.69 -44.34 96.67 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.0 tp -65.61 -39.39 91.46 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.991 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.28 -45.07 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.28 -46.69 87.65 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.526 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -54.45 -50.02 68.69 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.51 0.195 . . . . 0.0 110.75 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -56.69 -38.63 72.53 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.886 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -17.96 63.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.109 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -107.04 3.42 25.9 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 122.411 0.284 . . . . 0.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.343 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.051 -172.249 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 92.1 m-85 . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.6 mtp -136.4 157.0 47.83 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.296 169.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.0 t -76.63 151.85 36.06 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.148 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.53 -1.22 38.87 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.673 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.42 125.43 82.99 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-O 120.423 0.154 . . . . 0.0 110.743 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.89 -26.34 57.36 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 122.802 2.335 . . . . 0.0 113.484 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.64 1.45 85.59 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.649 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -133.09 -80.89 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.43 0.292 . . . . 0.0 110.608 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 51.76 32.21 9.19 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.313 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.86 168.5 16.04 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.378 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 159.12 15.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.317 0.579 . . . . 0.0 111.621 -172.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.722 ' CD2' HD23 ' A' ' 24' ' ' LEU . 71.2 m-85 -142.79 170.15 16.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.973 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -121.63 -46.36 2.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.301 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -91.9 117.62 29.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.416 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.0 pt? -50.66 -41.89 55.96 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.043 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 p -68.08 -45.91 72.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.638 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -30.85 71.9 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.569 0.223 . . . . 0.0 110.426 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.722 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.12 -39.75 65.51 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 169.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -58.07 -39.29 78.14 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.41 81.45 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.763 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -57.94 -37.47 74.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.724 0.297 . . . . 0.0 110.584 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.08 -34.68 72.26 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.746 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -55.44 -38.38 68.94 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.525 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -56.25 -43.97 79.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 44.5 m-70 -76.31 -21.3 56.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.678 -172.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.2 p -57.14 -26.85 61.22 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.465 0.174 . . . . 0.0 111.021 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.22 11.24 58.49 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.477 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -121.58 2.99 10.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.365 0.266 . . . . 0.0 111.415 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -69.81 112.88 13.74 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -75.96 120.29 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.497 ' HB3' HD22 ' A' ' 54' ' ' LEU . 86.6 m-85 -127.4 158.42 37.37 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 170.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -132.6 157.72 44.05 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.735 0.303 . . . . 0.0 110.698 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' HE1' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -77.47 148.79 35.18 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.023 175.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.13 -15.09 29.98 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' A' ' 61' ' ' HIS . 3.6 m-85 -67.98 126.34 29.16 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.68 66.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.088 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.71 -5.5 56.96 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 45.4 t -104.68 -77.37 0.58 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.637 0.256 . . . . 0.0 110.578 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 51.01 34.13 10.18 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 122.854 0.461 . . . . 0.0 111.71 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.69 169.57 11.55 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 170.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 150.4 51.68 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 111.046 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -135.45 161.35 35.7 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.284 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 p -107.42 4.94 26.81 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -174.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.98 147.96 27.8 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.984 0.421 . . . . 0.0 110.875 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -42.55 77.37 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -63.06 -39.77 95.72 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.31 -49.42 77.11 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 37' ' ' TYR . 48.0 tp -63.49 -40.45 97.11 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -65.62 -44.16 87.36 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.494 0.318 . . . . 0.0 111.282 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -61.64 -43.32 99.07 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.65 -36.4 78.59 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.242 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -53.08 -33.53 52.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.284 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -54.94 -33.12 61.93 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 120.421 0.153 . . . . 0.0 110.626 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -62.61 -33.63 75.4 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.496 0.318 . . . . 0.0 111.658 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.514 ' HE1' ' SG ' ' A' ' 39' ' ' CYS . 8.7 m80 -82.83 -44.07 15.91 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -81.25 -22.95 38.35 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.418 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 0.55 28.73 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 121.539 -0.362 . . . . 0.0 112.305 -175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.24 127.3 30.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -124.37 87.17 54.25 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.52 -16.87 9.07 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.522 2.148 . . . . 0.0 112.972 -170.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.598 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.4 m-85 -90.0 90.39 8.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.576 0.226 . . . . 0.0 110.414 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.33 141.44 28.76 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.65 146.17 55.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -79.25 -14.95 58.71 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -75.0 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -172.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -83.4 -6.63 59.52 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.615 0.245 . . . . 0.0 111.35 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 65.05 16.09 10.37 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.738 0.415 . . . . 0.0 111.374 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -68.86 141.33 55.12 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -99.23 139.92 34.16 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.061 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -130.49 155.07 47.08 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.12 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 p -98.17 -8.95 26.53 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.627 -174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -135.21 137.02 42.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 p -61.96 -31.53 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.166 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -66.84 -36.47 82.4 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.164 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -77.04 -34.75 57.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.893 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -65.6 -47.72 74.75 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.569 0.223 . . . . 0.0 110.535 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -34.34 76.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.541 0.21 . . . . 0.0 110.539 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -66.53 -49.48 66.37 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.754 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -65.55 -29.89 70.57 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.007 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -54.33 -41.27 68.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.492 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.99 -26.69 68.37 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.114 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -65.28 -37.2 86.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.482 0.182 . . . . 0.0 110.806 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -84.76 -20.36 31.18 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.805 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.194 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 18.35 55.38 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 121.41 -0.424 . . . . 0.0 112.358 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.88 104.96 15.29 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.87 81.43 49.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.61 -20.98 4.44 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.663 2.242 . . . . 0.0 112.924 -175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -78.66 77.44 5.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.028 0.442 . . . . 0.0 110.725 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 m -80.36 146.04 31.73 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.3 t -71.75 161.25 31.26 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.146 0.498 . . . . 0.0 110.927 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.26 0.29 10.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.982 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -65.08 156.3 81.2 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 120.915 0.388 . . . . 0.0 111.006 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.02 122.95 11.96 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t 66.35 19.02 10.98 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.909 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.9 t -86.37 170.63 11.84 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.827 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -164.6 21.86 0.06 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.459 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -89.34 139.92 30.02 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 -175.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -128.55 148.57 50.77 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -134.29 159.07 42.12 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.905 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.56 -2.04 45.8 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -132.22 141.13 48.93 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.147 0.499 . . . . 0.0 110.847 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.5 p -57.26 -47.58 81.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.659 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.409 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.65 -41.44 95.0 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 173.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.9 tp -67.26 -41.07 86.17 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.922 175.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.19 -43.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.156 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.57 -46.62 87.49 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -54.49 -50.09 68.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -56.6 -39.18 73.13 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.847 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -15.59 63.24 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.518 0.199 . . . . 0.0 111.174 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.8 mtt -111.89 4.76 18.5 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.417 0.287 . . . . 0.0 110.915 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.709 0.29 . . . . 0.0 110.977 -173.162 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -136.39 158.65 43.92 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.8 t -108.65 135.82 49.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.68 59.53 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.705 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 36.5 t80 -72.71 126.7 90.58 Favored Pre-proline 0 CA--C 1.554 1.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.689 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.46 -12.17 31.12 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.722 2.281 . . . . 0.0 113.203 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.48 -5.55 61.68 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 121.442 -0.408 . . . . 0.0 112.413 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 48.9 t -89.12 175.62 7.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.164 0.506 . . . . 0.0 111.264 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -72.47 -24.15 61.14 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.44 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt 72.47 20.69 3.88 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.521 0.728 . . . . 0.0 111.34 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -139.04 141.02 38.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.105 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CD2' HD23 ' A' ' 24' ' ' LEU . 34.9 m-85 -144.96 170.1 16.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.974 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -113.36 -33.89 5.79 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.514 -175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 74.2 mmtt -112.48 131.17 55.71 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.725 0.297 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.766 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.47 -51.83 51.71 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.981 178.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.713 ' H ' HD22 ' A' ' 21' ' ' LEU . 20.7 p -68.11 -45.99 72.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.753 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.37 -30.11 71.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.29 -42.33 62.55 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.119 169.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -58.01 -39.01 77.26 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.637 0.256 . . . . 0.0 110.407 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -44.34 76.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 20.2 t60 -57.91 -38.65 76.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.816 0.341 . . . . 0.0 110.955 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -58.9 -34.4 71.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.05 64.06 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -56.07 -47.43 77.98 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.63 0.252 . . . . 0.0 110.92 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 33.9 m-70 -68.73 -20.93 64.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -172.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -59.05 -14.98 11.29 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 120.603 0.24 . . . . 0.0 111.108 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 6.64 54.35 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.377 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -133.21 6.65 3.88 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -109.44 86.49 4.39 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-O 120.605 0.241 . . . . 0.0 110.75 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.59 92.12 1.16 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.547 2.164 . . . . 0.0 113.188 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 54' ' ' LEU . 92.5 m-85 -68.6 172.48 6.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.43 155.65 48.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.627 0.251 . . . . 0.0 110.496 174.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.77 143.6 46.6 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -86.6 -8.51 57.43 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -68.6 122.7 19.04 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.859 0.362 . . . . 0.0 110.427 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -63.72 -9.41 14.14 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -169.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.7 7.67 12.59 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 122.163 0.185 . . . . 0.0 111.382 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 43.2 t -101.37 172.95 6.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.096 0.474 . . . . 0.0 111.006 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -153.1 28.8 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.61 161.22 14.67 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.916 0.389 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -142.64 145.51 33.55 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 61.4 m-85 -137.0 139.57 41.53 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.033 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -74.58 -19.18 60.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -174.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -129.8 152.98 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.039 0.447 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 p -62.59 -28.8 70.14 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.703 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -67.57 -42.9 81.84 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 120.703 0.287 . . . . 0.0 111.119 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.48 -44.73 90.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.361 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.6 tp -62.19 -43.74 98.16 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.826 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.48 -45.2 94.1 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.845 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -56.55 -47.5 79.34 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 t60 -60.55 -41.78 95.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -177.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -53.33 -38.71 63.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.981 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -56.87 -33.41 66.8 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.225 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -31.56 70.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.53 -43.26 18.99 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.493 0.187 . . . . 0.0 111.137 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -84.76 -5.89 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.0 10.21 67.93 Favored Glycine 0 CA--C 1.545 1.924 0 C-N-CA 121.669 -0.3 . . . . 0.0 112.981 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.54 114.05 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 120.824 0.345 . . . . 0.0 110.797 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -116.88 87.68 23.03 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.194 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -87.59 -19.26 2.32 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.646 2.231 . . . . 0.0 113.169 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.673 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.5 m-85 -82.6 98.96 9.27 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -97.99 135.0 40.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.8 132.7 50.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.381 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -69.73 -18.44 63.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 -73.53 0.56 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.93 -5.33 58.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 66.02 17.63 10.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.748 0.419 . . . . 0.0 111.489 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -72.4 146.32 47.08 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -109.64 138.74 45.56 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.099 0.476 . . . . 0.0 111.223 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.56 160.63 32.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.181 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 p -103.73 -0.73 29.02 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -138.73 139.4 38.35 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 110.712 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 p -66.41 -36.14 82.07 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.17 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -67.16 -35.24 79.27 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -68.59 -45.4 72.09 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.566 173.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.0 tt -63.62 -47.61 80.69 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.818 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.97 -39.5 89.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.699 0.285 . . . . 0.0 110.571 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -64.72 -49.88 69.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.65 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -63.08 -38.98 93.32 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.862 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.34 -41.66 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -68.43 -22.9 64.57 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.303 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 p -59.43 -32.39 70.16 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.334 0.111 . . . . 0.0 110.797 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -78.44 -18.7 54.55 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.564 0.221 . . . . 0.0 110.944 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.0 p -96.3 -6.25 38.26 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.485 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.92 40.72 Favored Glycine 0 CA--C 1.554 2.522 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.857 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.41 103.9 2.57 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -121.1 83.69 38.73 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -85.51 -15.8 5.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.72 2.28 . . . . 0.0 112.988 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -83.59 78.32 9.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.927 0.394 . . . . 0.0 110.741 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.8 p -78.79 138.24 38.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.765 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.6 t -70.44 133.11 46.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.41 -0.7 57.67 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.522 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -67.72 122.42 83.43 Favored Pre-proline 0 CA--C 1.557 1.221 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.08 -50.91 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.75 2.3 . . . . 0.0 112.735 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -79.99 53.53 1.72 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.906 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 104' ' ' LYS . 5.0 t -168.25 -80.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 -178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 52.99 39.61 29.71 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.43 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -74.18 168.89 18.68 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 172.135 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -128.81 142.36 51.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.717 0.294 . . . . 0.0 110.918 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.03 157.82 40.63 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.37 -1.86 43.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.271 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -134.86 142.27 46.57 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.182 0.515 . . . . 0.0 110.942 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.8 p -57.27 -46.48 83.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -66.38 -33.58 76.03 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.559 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -60.63 -44.39 96.41 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 97' ' ' CYS . 63.4 tp -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.97 174.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.24 -46.39 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.41 -46.75 88.84 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.513 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -54.74 -49.28 71.18 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.42 -37.77 73.3 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.065 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -72.23 -15.7 61.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.492 0.187 . . . . 0.0 111.124 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.1 mtp -102.01 -1.67 31.28 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.019 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.599 0.238 . . . . 0.0 111.146 -171.331 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.708 0.289 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.35 150.39 48.82 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 168.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -66.4 146.18 54.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.169 0.509 . . . . 0.0 111.304 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.91 -4.46 56.52 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.639 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -79.17 134.37 59.43 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.07 145.95 68.98 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.543 2.162 . . . . 0.0 112.204 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.42 -38.81 2.89 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.068 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 -81.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.679 0.276 . . . . 0.0 110.403 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.05 35.94 1.81 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.441 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.63 160.35 29.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 153.83 18.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.297 0.57 . . . . 0.0 111.63 -169.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -144.85 163.87 32.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.935 -175.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -115.95 -28.41 6.66 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.396 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 7.8 mmpt? -113.01 124.77 53.4 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.675 0.274 . . . . 0.0 110.666 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -49.22 43.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.902 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -67.85 -45.79 73.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.715 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.0 -31.28 72.38 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.667 0.27 . . . . 0.0 110.481 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.11 -40.76 64.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.028 170.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.29 -38.61 77.37 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.54 89.11 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.691 173.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -58.05 -39.33 78.16 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.288 -0.258 . . . . 0.0 110.672 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -59.24 -34.62 72.44 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.534 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -38.24 69.03 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.2 -39.24 72.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.52 0.2 . . . . 0.0 111.048 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -68.35 -21.08 64.75 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.5 p -61.29 -10.47 7.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.044 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.51 12.17 36.02 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -122.17 -50.19 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.805 0.303 . . . . 0.0 111.706 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -46.65 112.47 1.89 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 123.119 0.262 . . . . 0.0 111.572 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.89 81.91 2.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.825 2.35 . . . . 0.0 112.713 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.583 ' HB3' HD22 ' A' ' 54' ' ' LEU . 9.6 m-85 -87.63 93.07 9.32 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.52 144.4 26.06 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.747 0.308 . . . . 0.0 110.727 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 145.43 56.11 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.703 174.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -73.77 -21.49 60.17 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 13.9 m-85 -70.12 129.89 40.63 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.775 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -72.45 -12.22 61.0 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.37 -10.81 39.81 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.025 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.49 -72.95 0.58 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.745 0.307 . . . . 0.0 110.433 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 57.31 16.2 3.0 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 123.0 0.52 . . . . 0.0 111.986 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -84.87 146.28 27.38 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.06 148.24 43.82 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.46 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 43.5 m-85 -127.44 164.67 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.723 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -98.53 -7.62 27.99 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -173.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -138.98 154.35 48.27 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.942 0.401 . . . . 0.0 111.108 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.7 p -61.02 -39.94 91.68 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.139 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -68.48 -34.04 75.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.156 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.37 -45.29 66.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.515 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -60.64 -47.5 85.96 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 171.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -60.95 -41.65 96.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.105 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -60.37 -47.79 84.55 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 17.8 t60 -60.78 -40.97 94.61 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.076 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.03 -37.01 61.17 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' NH2' ' H ' ' A' ' 64' ' ' VAL . 68.2 mtp85 -55.08 -33.03 62.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -55.77 -31.7 62.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 120.478 0.18 . . . . 0.0 110.849 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 79.9 m-70 -98.03 -33.06 11.32 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.357 176.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 t -148.0 61.5 1.12 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 111.182 -169.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.35 -177.09 33.15 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.116 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.431 ' H ' ' NH2' ' A' ' 59' ' ' ARG . 26.9 m -132.19 -168.85 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 122.444 0.298 . . . . 0.0 110.542 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -114.87 83.18 9.06 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.718 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.5 -20.56 5.72 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.858 2.372 . . . . 0.0 113.115 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.551 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.5 m-85 -78.47 88.98 4.43 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -99.79 135.14 41.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.777 0.322 . . . . 0.0 111.001 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.75 131.1 45.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.473 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -69.82 -17.24 63.38 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -75.26 0.47 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.558 0.343 . . . . 0.0 111.03 -175.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.79 -5.46 55.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.223 0.209 . . . . 0.0 111.489 -173.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 68.09 20.7 8.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.849 0.459 . . . . 0.0 111.422 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.29 140.73 58.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 169.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -113.13 140.97 47.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 110.823 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -136.81 158.19 45.02 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.389 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 p -107.79 3.0 24.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -138.81 134.31 33.24 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 110.412 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -68.92 -31.83 71.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.09 -36.26 82.71 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 120.466 0.174 . . . . 0.0 110.83 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -67.98 -45.3 74.54 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.67 172.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -63.13 -47.69 81.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.505 0.193 . . . . 0.0 110.82 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.92 -34.42 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 0.0 110.636 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 m -67.77 -49.59 61.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.738 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -61.67 -34.06 75.07 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.871 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 m -54.27 -41.13 68.5 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -62.03 -22.77 65.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.162 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 m -54.5 -37.36 65.22 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.66 0.267 . . . . 0.0 110.878 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -89.54 -24.31 21.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.32 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -91.63 -6.42 52.25 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.4 8.8 52.86 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.694 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.01 98.14 1.25 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.977 0.389 . . . . 0.0 110.808 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -119.93 78.51 23.93 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -83.54 -14.32 8.0 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.751 2.3 . . . . 0.0 113.14 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.05 76.65 10.23 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.853 0.359 . . . . 0.0 110.652 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 48.7 p -84.18 146.0 28.07 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.859 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.39 161.35 30.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.275 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.52 1.47 10.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.182 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -67.63 156.16 89.56 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.95 125.44 17.18 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.737 2.292 . . . . 0.0 112.359 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.8 t 62.94 20.93 12.57 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.058 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -118.84 157.14 28.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.365 0.602 . . . . 0.0 111.191 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -162.17 29.95 0.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.95 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -63.91 136.2 57.16 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 29.5 mtmt -112.08 147.99 34.86 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 111.56 -169.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -134.19 160.83 36.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.537 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.92 3.15 44.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -136.11 140.87 44.03 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.119 0.485 . . . . 0.0 110.792 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 p -57.14 -49.92 74.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.503 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.21 -33.66 75.96 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.73 -43.77 97.49 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -66.23 -40.03 89.99 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.031 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.21 -44.27 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.35 -46.66 87.66 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.645 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -54.38 -49.43 69.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.656 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.82 -39.57 74.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -72.05 -15.56 62.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.506 0.193 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -107.03 5.91 28.5 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.857 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.369 0 CA-C-O 120.72 0.295 . . . . 0.0 111.074 -173.025 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 120.708 0.289 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -136.43 156.76 48.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.62 143.86 53.13 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.3 -4.82 56.89 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.78 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 63.4 t80 -79.09 118.27 71.51 Favored Pre-proline 0 N--CA 1.478 0.972 0 O-C-N 122.392 -0.192 . . . . 0.0 110.649 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.47 101.88 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.624 2.216 . . . . 0.0 111.973 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.02 -38.02 1.83 Allowed Glycine 0 N--CA 1.468 0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.61 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.7 t -85.91 -81.89 0.2 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.0 m120 50.64 31.84 6.22 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 169.44 18.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.103 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -98.64 151.92 20.18 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.72 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.5 m-85 -137.24 166.47 23.69 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.736 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.91 -41.33 2.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.212 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -94.26 118.71 31.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.501 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.79 -46.13 20.44 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.824 0.345 . . . . 0.0 110.817 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -67.9 -46.01 72.81 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.688 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.84 -29.49 70.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.565 0.222 . . . . 0.0 110.575 -178.053 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.13 -39.57 65.62 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.96 169.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -40.83 82.32 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.38 -48.22 82.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.776 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.04 -38.57 76.5 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.682 0.277 . . . . 0.0 110.823 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 p -59.01 -32.48 69.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -38.2 68.11 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.398 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.2 -45.74 79.71 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.576 0.227 . . . . 0.0 110.815 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.3 m-70 -76.26 -21.28 56.51 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -172.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 p -55.71 -24.53 35.09 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 120.498 0.19 . . . . 0.0 111.086 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 18.08 35.2 Favored Glycine 0 CA--C 1.541 1.69 0 CA-C-N 116.538 -0.301 . . . . 0.0 112.402 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -124.94 5.05 8.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.788 0.294 . . . . 0.0 111.381 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.37 107.45 23.69 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.59 137.05 22.17 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.398 2.066 . . . . 0.0 113.162 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' HB3' HD22 ' A' ' 54' ' ' LEU . 71.6 m-85 -129.25 165.12 22.03 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.51 150.15 52.2 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -63.55 143.91 57.44 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.66 -2.55 35.18 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.0 131.16 49.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.89 0.376 . . . . 0.0 110.3 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -72.0 4.17 3.7 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.204 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -132.4 12.29 4.55 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 122.167 0.187 . . . . 0.0 111.108 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 46.3 t -103.08 173.85 6.12 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.108 0.48 . . . . 0.0 110.815 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -160.49 28.91 0.16 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 152.66 25.51 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.157 0.503 . . . . 0.0 110.802 -173.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.05 148.01 49.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.751 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.2 m-85 -126.64 164.81 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.146 -173.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 t -108.97 7.25 25.82 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.453 -175.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -153.01 149.78 28.53 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.7 p -58.68 -41.21 85.65 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.99 -39.01 93.16 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -61.4 -49.32 77.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.64 0.257 . . . . 0.0 110.374 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -62.12 -45.4 93.65 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.96 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.97 -40.55 93.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.165 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -68.22 -41.2 81.61 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.563 0.22 . . . . 0.0 110.487 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 46.0 t60 -60.71 -37.78 82.84 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.916 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -53.34 -34.71 58.61 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.344 0.257 . . . . 0.0 111.334 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -55.06 -33.22 62.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.564 0.221 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -60.36 -31.9 70.78 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.584 0.354 . . . . 0.0 111.664 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -97.81 -36.45 10.19 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.604 0.24 . . . . 0.0 111.244 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -79.16 -31.3 43.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.08 -1.27 60.21 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 121.715 -0.278 . . . . 0.0 112.843 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.34 137.28 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-O 121.03 0.443 . . . . 0.0 110.958 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -131.05 81.48 66.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.344 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -79.17 -16.35 12.36 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.596 2.197 . . . . 0.0 113.279 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -90.11 97.83 11.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.51 137.25 41.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.127 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.9 t -65.01 138.7 58.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.81 -19.7 62.65 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -99.09 -75.38 0.56 Allowed 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.318 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.5 p -80.16 -7.37 58.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.492 0.317 . . . . 0.0 111.359 -175.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 64.25 21.25 12.47 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.406 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -71.97 141.14 49.4 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.1 142.18 40.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.061 0.458 . . . . 0.0 111.182 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.02 163.53 29.03 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 m -109.13 1.9 20.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.64 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -138.83 132.9 31.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.833 0.349 . . . . 0.0 110.617 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 p -63.34 -34.0 76.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.54 -38.38 90.92 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 120.652 0.263 . . . . 0.0 111.023 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -74.97 -35.3 62.07 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.992 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -65.46 -47.68 75.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -61.1 -38.93 88.04 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.764 0.316 . . . . 0.0 110.469 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.2 m -64.08 -49.46 72.18 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -61.41 -36.73 81.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.92 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -54.36 -41.24 68.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.753 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.69 -22.94 67.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -60.21 -27.07 66.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.574 0.226 . . . . 0.0 110.729 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -93.53 -26.21 17.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.211 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -91.68 -6.35 52.22 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.19 10.49 41.33 Favored Glycine 0 CA--C 1.549 2.173 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.518 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.76 100.14 1.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.005 0.431 . . . . 0.0 110.799 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.29 82.41 45.69 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.503 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -84.78 -15.51 5.87 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.734 2.29 . . . . 0.0 113.003 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -85.98 79.62 9.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -83.75 143.73 29.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.6 t -70.35 157.71 37.27 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.087 169.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -135.54 16.18 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.189 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -56.78 153.22 23.17 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.531 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.48 22.67 0.23 Allowed 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 122.934 2.422 . . . . 0.0 113.179 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -163.22 27.73 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.707 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.2 t -143.26 164.64 29.66 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.239 0.542 . . . . 0.0 111.608 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.64 27.42 0.1 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.019 170.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -73.69 154.83 39.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.165 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.54 148.22 50.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.032 0.444 . . . . 0.0 111.56 -170.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -133.41 159.09 41.36 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.583 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.3 2.14 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -135.49 141.59 45.33 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.155 0.502 . . . . 0.0 110.917 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -57.42 -49.77 75.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.625 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.7 -33.68 76.18 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.518 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.6 -43.92 96.86 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.06 -39.64 90.25 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.039 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.18 -46.43 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 120.738 0.304 . . . . 0.0 110.193 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.64 -46.47 88.08 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.661 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -55.8 -48.0 76.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -56.66 -33.73 66.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.535 0.207 . . . . 0.0 110.685 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -17.53 63.27 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.329 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.41 -19.48 59.49 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.501 0.191 . . . . 0.0 110.932 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.345 0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 110.455 178.106 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 92.7 m-85 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.678 0.275 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.51 154.97 50.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 48.9 t -65.67 142.29 58.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.896 0.379 . . . . 0.0 111.192 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.94 4.16 47.28 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.725 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -69.01 123.8 88.96 Favored Pre-proline 0 CA--C 1.546 0.801 0 O-C-N 122.451 -0.155 . . . . 0.0 110.795 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.44 99.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.407 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.85 -30.98 4.25 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.035 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 34.8 t -81.06 171.27 15.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.31 0.576 . . . . 0.0 110.815 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 23.68 0.05 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.275 175.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -74.89 139.03 42.84 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -175.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -98.78 152.51 19.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.767 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 89.5 m-85 -142.04 167.75 21.37 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 -174.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -116.68 -42.46 2.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.794 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 58.7 mttt -90.38 119.88 31.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.504 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 40.5 tp -47.34 -43.93 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 172.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 p -68.09 -46.27 71.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.295 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.21 -29.28 67.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.262 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.28 -38.94 65.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 169.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -58.02 -39.99 79.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 174.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -46.84 85.96 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -58.06 -39.05 77.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 120.722 0.296 . . . . 0.0 110.436 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p -59.25 -34.7 72.54 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -55.76 -38.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -39.82 73.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.607 0.241 . . . . 0.0 110.469 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -81.22 -22.59 38.68 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.825 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -61.69 -22.5 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.437 0.161 . . . . 0.0 110.611 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.23 18.53 38.95 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.281 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.18 -41.32 3.52 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.716 0.258 . . . . 0.0 111.325 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -43.45 106.7 0.51 Allowed Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.907 0.483 . . . . 0.0 111.568 -173.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.43 95.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.766 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.428 ' HB3' HD22 ' A' ' 54' ' ' LEU . 77.1 m-85 -88.99 172.26 9.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 170.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -129.37 152.87 48.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.0 170.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.7 136.24 17.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.71 -9.96 59.06 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.246 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.67 117.61 12.41 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.815 0.341 . . . . 0.0 110.297 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -60.32 -15.15 22.75 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -170.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -109.21 9.52 25.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 122.168 0.187 . . . . 0.0 111.353 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.432 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 45.8 t -108.07 156.69 18.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.15 0.5 . . . . 0.0 111.005 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -132.33 19.89 4.39 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.839 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -82.63 135.55 35.02 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.739 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -119.23 145.02 46.41 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.786 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.3 m-85 -130.68 139.4 50.32 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.394 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -89.82 3.14 53.84 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -144.92 143.27 30.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.128 0.49 . . . . 0.0 110.998 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -40.98 82.39 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.309 -175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -33.94 73.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -41.47 81.71 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.567 0.222 . . . . 0.0 110.525 176.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 37' ' ' TYR . 17.1 tp -60.98 -47.52 86.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 171.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -60.42 -33.6 72.75 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.065 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.62 -44.42 70.7 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.552 172.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.66 -36.63 79.18 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.948 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -53.02 -38.2 62.17 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -55.31 -33.33 63.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.426 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -31.8 73.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 120.385 0.136 . . . . 0.0 111.341 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -92.8 -34.74 13.75 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.634 0.254 . . . . 0.0 111.108 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -83.1 -28.61 29.36 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.318 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.01 -5.38 41.26 Favored Glycine 0 CA--C 1.545 1.967 0 C-N-CA 121.719 -0.277 . . . . 0.0 113.056 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.43 143.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-O 121.153 0.501 . . . . 0.0 111.011 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -134.33 79.78 54.12 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.292 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.77 -21.37 11.22 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.714 2.276 . . . . 0.0 113.395 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.6 m-85 -82.51 97.12 8.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -97.21 136.78 37.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.689 0.28 . . . . 0.0 111.065 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.77 136.15 56.59 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -67.32 -22.65 65.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.34 -76.12 0.53 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.284 -169.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 -5.36 59.2 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.511 0.196 . . . . 0.0 111.323 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 64.62 23.65 12.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.724 0.41 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -64.68 164.49 11.93 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -130.0 135.88 48.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 111.05 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -130.29 162.54 28.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.372 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 m -108.82 6.1 25.18 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -140.33 130.35 24.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.754 0.312 . . . . 0.0 110.463 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.6 p -67.44 -32.18 72.86 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.51 -35.93 81.47 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.874 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -69.11 -44.06 73.21 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.669 173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.3 tt -65.08 -47.63 76.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.431 0.158 . . . . 0.0 110.827 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -63.73 -34.47 77.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.626 0.25 . . . . 0.0 110.568 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.6 m -65.73 -49.47 68.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.702 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -62.26 -34.35 76.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.949 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.7 m -55.4 -41.3 72.51 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.776 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -65.52 -23.12 66.8 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.279 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -69.07 -30.88 69.3 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 120.448 0.166 . . . . 0.0 110.875 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -88.2 -22.72 23.86 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.669 0.271 . . . . 0.0 110.772 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 m -91.8 -6.0 52.49 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 -175.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.23 13.02 52.73 Favored Glycine 0 CA--C 1.545 1.92 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.39 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.27 98.07 5.04 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.949 0.404 . . . . 0.0 110.702 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.53 82.56 33.09 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -85.78 -19.36 3.4 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 122.784 2.323 . . . . 0.0 112.963 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.45 78.79 5.95 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 110.804 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 m -82.82 145.24 29.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.409 ' HA ' HD11 ' A' ' 112' ' ' LEU . 36.8 t -70.4 144.22 51.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -111.43 5.25 19.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.145 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -59.04 146.75 76.46 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.564 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.54 48.15 2.06 Favored 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 123.019 2.479 . . . . 0.0 112.671 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -176.35 -22.65 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 22.4 t -86.06 171.88 11.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.475 0.655 . . . . 0.0 111.544 -173.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -162.02 26.74 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.133 175.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 151.52 35.59 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -128.62 147.92 50.76 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.846 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -133.08 159.57 39.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.722 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.89 0.65 46.99 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -136.88 139.62 41.76 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.76 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -58.29 -43.22 87.96 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.31 -33.77 75.98 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.487 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.76 -43.27 98.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.0 tp -65.3 -40.43 93.8 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.94 174.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.24 -44.71 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.25 -46.7 87.65 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.626 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -54.39 -49.32 70.16 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.66 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -57.61 -38.85 75.63 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.135 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -71.76 -15.6 62.18 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -106.94 4.78 27.61 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.345 0.392 0 CA-C-O 120.69 0.281 . . . . 0.0 110.956 -173.005 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.407 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 28.9 ptm -136.62 158.62 44.01 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.34 169.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 t -76.89 139.53 40.27 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.68 -1.95 57.85 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.761 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.37 128.77 81.71 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.15 -18.66 51.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.723 2.282 . . . . 0.0 113.22 -172.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.06 -2.65 85.83 Favored Glycine 0 CA--C 1.544 1.891 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.318 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.8 t -121.24 -78.23 0.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.511 0.325 . . . . 0.0 110.628 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.15 20.56 8.56 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.183 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.38 171.43 14.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 120.6 0.238 . . . . 0.0 110.529 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 19.7 mmm180 -106.46 156.68 18.3 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.168 0.509 . . . . 0.0 111.578 -170.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 53.6 m-85 -143.94 167.82 21.43 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.255 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.71 -44.85 3.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 76.5 tttt -97.23 122.18 39.96 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.581 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.2 tp -46.49 -47.03 19.4 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.658 0.265 . . . . 0.0 110.605 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -68.03 -45.94 72.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.874 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.91 -29.93 69.94 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.312 -177.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.21 -39.18 65.74 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 169.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -42.25 84.93 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.72 -43.63 95.95 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.785 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.03 -35.71 71.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.516 0.198 . . . . 0.0 110.761 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -59.12 -35.01 72.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.764 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -55.72 -38.17 69.38 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.628 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -44.42 79.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.626 0.251 . . . . 0.0 110.679 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -72.57 -21.27 61.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -172.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -53.55 -41.64 66.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 49' ' ' SER . . . -55.72 -30.77 57.05 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.477 174.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -98.76 18.53 16.74 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.818 0.447 . . . . 0.0 111.506 -173.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -112.96 83.29 5.88 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-O 120.638 0.256 . . . . 0.0 110.487 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.63 88.82 1.26 Allowed 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.772 2.315 . . . . 0.0 112.799 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.656 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 -75.26 100.58 4.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.414 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 2.4 tt0 -88.01 144.86 26.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.61 148.38 42.62 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.923 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -102.94 -1.13 29.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.102 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -57.82 142.12 46.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.002 0.429 . . . . 0.0 110.717 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -12.08 43.02 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.074 -169.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -133.96 35.39 3.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.647 0.26 . . . . 0.0 111.029 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.39 164.62 26.72 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.166 0.508 . . . . 0.0 111.025 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -155.37 19.64 0.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.555 175.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.84 139.29 40.26 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -125.25 134.75 52.19 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -178.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -118.57 139.38 51.56 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.443 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 64.7 m -83.88 42.81 0.88 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.42 144.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 120.948 0.404 . . . . 0.0 110.667 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -60.28 -44.57 95.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.965 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.44 -33.98 77.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.214 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -68.65 -42.93 77.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -61.97 -45.02 95.5 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.549 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.89 -36.9 84.86 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.522 0.201 . . . . 0.0 111.106 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -64.21 -45.93 86.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.815 0.34 . . . . 0.0 110.149 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -60.76 -36.95 80.23 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.374 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.27 -33.72 54.28 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.177 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 12.5 mmp_? -55.06 -33.16 62.49 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.395 0.141 . . . . 0.0 110.777 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.67 -38.79 86.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.437 0.295 . . . . 0.0 111.368 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.12 -35.53 14.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.608 0.242 . . . . 0.0 111.169 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -78.39 -23.41 46.81 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.082 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.39 0.08 61.33 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 121.577 -0.344 . . . . 0.0 112.466 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 69.9 t -72.41 121.07 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.576 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.94 88.38 50.69 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.13 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.42 -18.17 7.2 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.537 2.158 . . . . 0.0 113.17 -170.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.541 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.0 m-85 -84.93 92.55 8.33 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.18 134.04 34.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.689 0.28 . . . . 0.0 110.833 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.8 t -64.79 129.6 40.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 171.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.38 -20.26 63.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -72.64 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.1 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.37 -2.61 57.98 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -173.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 64.21 22.02 12.72 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.654 0.381 . . . . 0.0 111.419 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -65.66 163.44 16.38 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 170.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.6 135.19 53.82 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.852 0.358 . . . . 0.0 110.591 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.22 159.33 36.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.4 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 p -103.26 -3.24 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.344 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -138.09 132.09 31.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p -63.5 -35.21 79.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.82 -35.21 80.04 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.039 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -70.2 -42.98 71.63 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.74 173.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -65.36 -47.69 75.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.436 0.16 . . . . 0.0 110.715 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.657 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -65.18 -49.42 69.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.644 0.259 . . . . 0.0 110.665 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.33 -33.64 75.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -55.35 -41.34 72.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -64.98 -23.13 67.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.278 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 p -68.69 -32.6 72.53 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 120.417 0.151 . . . . 0.0 110.789 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -85.14 -24.2 28.09 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 120.645 0.26 . . . . 0.0 110.657 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 m -91.76 -6.19 52.27 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.169 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.56 14.95 52.14 Favored Glycine 0 CA--C 1.547 2.037 0 C-N-CA 121.527 -0.368 . . . . 0.0 112.492 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -78.84 101.02 7.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.895 0.379 . . . . 0.0 110.685 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -122.02 81.84 43.44 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.03 -15.56 5.55 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.73 2.287 . . . . 0.0 113.1 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.44 78.53 9.8 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.9 t -78.88 146.05 33.81 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 t -70.44 161.2 30.97 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.065 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.67 3.74 5.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.899 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -62.73 145.95 95.1 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.3 13.24 0.55 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.918 2.412 . . . . 0.0 113.128 -174.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -143.55 17.8 1.85 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.022 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.62 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 17.0 t -130.66 171.84 12.62 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.309 0.575 . . . . 0.0 111.391 -175.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -167.09 26.58 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.271 179.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.62 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.6 mppt? -88.01 156.02 19.52 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.8 0.333 . . . . 0.0 110.626 -176.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -128.57 147.96 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -131.99 159.01 39.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.763 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.39 -0.65 45.95 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.1 141.98 46.15 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 110.808 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.0 p -57.27 -49.36 76.31 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.606 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.43 -33.6 75.9 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.421 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.73 -43.83 97.41 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 173.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.76 -41.25 92.33 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.978 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.3 t -58.23 -47.31 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -62.01 -46.72 87.98 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.675 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.37 -47.58 81.28 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.957 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -56.82 -33.71 67.0 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.546 0.212 . . . . 0.0 110.842 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -15.79 63.64 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.216 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 80.5 mtp -84.01 -16.16 44.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.015 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.347 0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 176.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 C--O 1.214 -0.764 0 CA-C-O 120.633 0.254 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 ptm -136.57 155.69 49.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 24' ' ' LEU . 48.4 t -61.76 125.96 25.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 111.011 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.84 9.13 36.62 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.54 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 76.0 t80 -67.13 135.76 93.85 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 175.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.76 88.86 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.418 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -31.26 2.43 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.856 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.2 t -78.32 177.66 8.28 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.274 0.559 . . . . 0.0 110.952 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -171.41 16.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.434 -178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 145.77 37.72 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.63 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' H ' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.72 152.0 20.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.277 0.56 . . . . 0.0 111.364 -173.047 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.655 ' CD2' HD23 ' A' ' 24' ' ' LEU . 93.5 m-85 -144.81 162.3 37.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.976 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -121.11 -22.32 6.14 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.4 mppt? -115.76 115.61 26.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.377 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 tp -45.75 -43.83 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 120.787 0.327 . . . . 0.0 111.018 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -68.09 -45.87 72.56 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.24 -29.43 70.22 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.74 0.305 . . . . 0.0 110.428 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.655 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.25 -38.35 66.01 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 170.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.27 -38.6 80.52 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -49.31 78.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.623 173.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 120.689 0.28 . . . . 0.0 110.64 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -59.45 -35.3 73.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -38.6 70.79 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.763 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -57.02 -41.63 78.92 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.532 0.206 . . . . 0.0 110.707 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 13.6 m-70 -64.15 -21.12 66.43 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -173.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -52.16 -25.27 8.62 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.47 3.96 37.25 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.625 -0.321 . . . . 0.0 112.935 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.32 -43.14 34.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.138 0.469 . . . . 0.0 110.647 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -149.33 84.07 6.3 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.272 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.33 153.47 74.2 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.369 2.046 . . . . 0.0 112.141 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -74.45 175.35 7.82 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.499 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.4 157.87 43.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 170.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.49 131.76 24.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.94 -4.66 53.38 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -67.81 -22.23 65.18 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.134 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 70.63 -44.61 0.58 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 123.976 0.91 . . . . 0.0 111.671 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.75 -18.49 65.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.9 150.11 28.17 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.676 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 20.83 4.33 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.914 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -66.91 140.68 57.78 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.037 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -107.6 147.25 30.86 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 111.131 -172.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.6 m-85 -134.61 139.24 45.19 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.74 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p -85.54 -5.88 59.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.623 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -138.13 141.31 40.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.936 0.398 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -58.6 -37.72 76.45 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.039 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.51 -33.9 74.95 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.325 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -70.13 -35.24 73.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.5 0.19 . . . . 0.0 110.569 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.0 tp -67.91 -43.64 78.77 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.588 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -62.01 -39.77 93.4 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.702 0.287 . . . . 0.0 110.834 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -62.01 -47.44 84.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.257 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.3 t60 -60.77 -39.61 89.45 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -53.09 -38.43 62.55 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.543 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.44 63.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.112 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -55.83 -45.6 78.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.085 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -77.78 -24.25 48.96 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.185 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.0 p -74.93 -29.62 61.01 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.929 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.54 -7.95 29.67 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 116.531 -0.304 . . . . 0.0 112.503 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.82 137.31 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.958 0.409 . . . . 0.0 110.679 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.76 85.97 58.26 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.02 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.06 -20.03 10.35 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.74 2.293 . . . . 0.0 113.341 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.2 m-85 -79.4 82.69 5.51 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.763 0.316 . . . . 0.0 110.401 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.19 127.72 36.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.202 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 42.3 t -68.8 131.53 45.3 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.45 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -77.17 -13.49 59.94 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.269 176.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.14 -70.54 0.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.314 0.246 . . . . 0.0 110.873 -174.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.84 0.38 57.48 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.388 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 61.13 29.71 19.0 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.526 0.33 . . . . 0.0 110.975 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.511 ' NH1' ' H ' ' A' ' 75' ' ' LYS . 8.0 mmm180 -75.49 161.31 29.31 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.313 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.511 ' H ' ' NH1' ' A' ' 74' ' ' ARG . 62.4 mttp -133.54 128.16 34.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.706 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -121.98 162.35 21.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.7 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 p -107.15 -4.29 19.0 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -137.72 134.62 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.82 0.343 . . . . 0.0 110.594 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 p -63.77 -32.49 74.01 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -63.8 -34.98 79.12 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 120.679 0.276 . . . . 0.0 111.039 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -77.21 -37.94 52.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.852 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -63.44 -47.61 81.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.628 176.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.63 -36.9 85.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.57 0.224 . . . . 0.0 110.671 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.4 m -64.62 -49.75 69.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.644 0.259 . . . . 0.0 110.505 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -63.66 -32.81 74.41 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.986 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 56.6 m -54.34 -40.83 68.42 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.545 0.338 . . . . 0.0 110.774 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -62.0 -22.57 65.8 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.066 -177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -38.85 66.52 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 120.667 0.27 . . . . 0.0 110.768 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.46 -27.69 29.31 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.226 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 p -91.71 -6.28 52.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.6 40.83 Favored Glycine 0 CA--C 1.549 2.209 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.569 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -70.47 100.27 1.75 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -120.61 84.47 36.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.9 -14.84 5.05 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.743 2.295 . . . . 0.0 112.992 -174.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.12 77.88 9.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.7 t -78.77 146.06 34.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.794 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.29 161.23 30.75 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 170.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.65 3.93 6.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.802 -176.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -62.33 148.74 89.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.56 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.69 22.54 0.29 Allowed 'Trans proline' 0 CA--C 1.55 1.319 0 C-N-CA 122.956 2.437 . . . . 0.0 113.083 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.7 t -154.68 19.27 0.46 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.106 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.32 151.67 42.19 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 121.157 0.503 . . . . 0.0 111.613 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -144.36 24.92 1.56 Allowed 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.932 170.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 36.7 mtmm -74.28 145.8 43.72 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.216 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -128.44 134.01 48.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.314 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.37 165.13 12.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.648 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.35 3.11 40.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -136.24 141.12 43.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.198 0.523 . . . . 0.0 110.704 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 p -57.13 -50.28 73.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.511 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.17 -33.6 75.83 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.68 -43.66 97.46 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.8 -40.43 91.9 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.944 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.17 -46.31 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.07 -46.6 89.98 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.712 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.44 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 45.0 t60 -54.39 -49.57 69.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.796 -0.184 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -56.67 -39.68 74.2 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.787 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -15.83 63.61 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.569 0.224 . . . . 0.0 111.199 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 mtt -114.75 13.08 17.2 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.774 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.372 0 CA-C-O 120.723 0.297 . . . . 0.0 110.923 -174.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 110.199 -0.296 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.1 mtp -136.24 158.69 43.83 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.771 0.32 . . . . 0.0 110.321 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 t -72.48 142.76 48.57 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.998 173.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.06 -1.67 58.14 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.771 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 81.9 t80 -80.88 123.5 82.2 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 122.362 -0.211 . . . . 0.0 110.569 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.21 -25.89 58.02 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.884 2.389 . . . . 0.0 113.593 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.2 -5.8 79.47 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.496 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.1 t -114.42 -77.97 0.58 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 122.494 0.318 . . . . 0.0 110.465 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 57.82 19.47 5.71 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -79.33 164.45 24.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 120.62 0.248 . . . . 0.0 110.362 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' NE ' ' H ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.71 155.98 17.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.263 0.554 . . . . 0.0 111.969 -169.757 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 24' ' ' LEU . 67.3 m-85 -142.01 170.1 16.35 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.776 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -117.06 -46.26 2.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.571 0.224 . . . . 0.0 111.23 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 27.7 mtmm -91.79 116.41 28.88 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.477 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -48.25 -43.15 32.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.135 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 p -68.05 -46.04 72.22 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.736 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.32 -30.43 71.48 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.617 0.246 . . . . 0.0 110.395 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.16 -39.77 65.39 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 170.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -58.16 -41.13 83.13 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -48.15 82.24 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.745 173.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.98 -41.04 82.13 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.712 0.291 . . . . 0.0 110.812 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -59.01 -34.57 72.03 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -38.38 68.65 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -56.33 -45.4 80.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.1 m-70 -71.74 -20.96 61.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.8 p -52.36 -20.38 2.74 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.21 17.94 16.43 Favored Glycine 0 CA--C 1.551 2.311 0 C-N-CA 121.691 -0.29 . . . . 0.0 112.555 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.41 1.86 14.51 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.868 0.334 . . . . 0.0 111.475 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -118.64 100.15 51.22 Favored Pre-proline 0 N--CA 1.476 0.835 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.12 162.73 25.78 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.574 2.183 . . . . 0.0 113.216 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -133.77 178.56 6.85 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.439 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -131.41 152.75 50.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.752 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.0 t -50.16 131.03 23.45 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.012 0.434 . . . . 0.0 111.051 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.61 0.77 25.07 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.324 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.59 -12.06 59.53 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 122.252 0.221 . . . . 0.0 111.179 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 73.21 -51.18 0.71 Allowed 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 123.496 0.718 . . . . 0.0 111.48 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -77.79 -2.51 36.75 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.008 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 31.5 t -100.77 148.37 24.99 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.121 0.486 . . . . 0.0 110.884 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -121.24 23.99 10.23 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.943 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -87.57 133.57 33.77 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.71 147.1 40.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.499 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -130.76 139.31 50.23 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.522 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 p -84.65 -7.05 59.37 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -141.32 151.72 43.83 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.993 0.425 . . . . 0.0 110.97 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -42.52 87.03 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.685 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.98 -39.44 92.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.094 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.5 -46.93 87.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.79 -45.01 96.04 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -60.58 -44.9 95.7 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.085 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.43 -46.6 83.37 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 173.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.85 -36.89 80.3 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.376 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.45 -38.15 63.29 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.444 0.164 . . . . 0.0 110.892 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HE ' ' CG2' ' A' ' 64' ' ' VAL . 13.6 mmp_? -55.46 -33.31 63.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.445 0.164 . . . . 0.0 111.081 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -64.07 -31.76 73.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.346 0.258 . . . . 0.0 111.439 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -94.34 -36.57 11.89 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 120.661 0.267 . . . . 0.0 111.078 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -78.37 -23.58 46.82 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.076 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.65 -7.3 41.59 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 121.718 -0.277 . . . . 0.0 112.945 173.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' CG2' ' HE ' ' A' ' 59' ' ' ARG . 34.9 m -69.04 138.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.991 0.425 . . . . 0.0 110.817 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -128.9 84.2 63.85 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.1 -19.19 10.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.706 2.271 . . . . 0.0 113.265 -170.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.3 m-85 -84.49 95.1 8.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 120.581 0.229 . . . . 0.0 110.432 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -98.89 135.18 40.69 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.727 0.299 . . . . 0.0 111.032 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.8 t -65.08 146.92 54.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 169.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -90.72 -9.16 47.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -70.57 0.71 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.6 0.36 . . . . 0.0 110.78 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.7 -7.79 58.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.599 0.237 . . . . 0.0 111.306 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 65.47 18.48 11.31 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.826 0.451 . . . . 0.0 111.378 -178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -74.71 158.0 34.31 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.58 141.84 48.91 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.06 160.33 37.5 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.215 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -104.94 -3.62 23.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -135.7 130.1 33.71 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.82 0.343 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -60.31 -33.71 72.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.266 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.99 -35.04 79.49 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.21 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -76.52 -34.24 58.57 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.788 -0.187 . . . . 0.0 110.903 176.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.4 tt -67.41 -47.72 69.42 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.512 0.196 . . . . 0.0 110.558 176.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.89 -34.43 77.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.0 m -67.3 -49.45 64.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.708 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.45 -30.6 71.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.019 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.5 m -54.32 -40.98 68.48 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.591 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -62.2 -25.24 67.68 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.473 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -65.17 -29.11 69.92 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.463 0.173 . . . . 0.0 110.845 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -92.61 -26.63 17.77 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.762 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 m -91.8 -6.27 52.04 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.55 -172.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.98 13.21 47.03 Favored Glycine 0 CA--C 1.55 2.22 0 C-N-CA 121.338 -0.458 . . . . 0.0 112.406 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.33 96.15 2.79 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -119.68 80.54 23.96 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -82.4 -20.8 5.69 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.76 2.307 . . . . 0.0 112.874 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.9 m-85 -79.14 76.92 5.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.006 0.431 . . . . 0.0 110.615 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 m -82.35 142.41 32.05 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.618 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.411 ' HA ' HD11 ' A' ' 112' ' ' LEU . 29.4 t -70.45 151.42 45.16 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.079 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -105.62 -1.99 23.99 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.319 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.57 151.43 97.17 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-O 120.657 0.265 . . . . 0.0 110.415 177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 129.38 22.11 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.512 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 p 63.73 14.36 8.16 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.129 0.572 . . . . 0.0 112.033 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.5 t -97.86 -83.41 0.4 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 120.684 0.278 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 56.59 30.98 18.28 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 122.938 0.495 . . . . 0.0 111.39 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 137.87 58.29 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 169.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -111.15 140.27 45.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 111.2 -170.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.33 159.53 36.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.805 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.58 -1.04 41.93 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.193 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -135.06 141.77 46.18 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 110.827 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 7.8 p -57.2 -48.07 79.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.72 -33.57 76.28 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.72 -43.24 98.11 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.5 tp -66.66 -39.56 88.24 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.991 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.26 -45.53 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.38 -46.57 89.62 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.665 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.45 -49.34 70.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.781 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -58.11 -37.26 74.2 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.893 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -16.89 63.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.483 0.182 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.4 mtp -107.62 3.66 25.04 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.018 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.345 0.388 0 CA-C-O 120.728 0.299 . . . . 0.0 111.094 -172.729 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 120.721 0.295 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 1.4 pmm? -136.25 158.66 43.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.173 169.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 43.0 t -81.61 131.47 35.27 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.733 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.12 -7.36 58.87 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.781 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 60.0 t80 -70.79 127.23 92.03 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 120.463 0.173 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.03 -14.59 35.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.727 2.285 . . . . 0.0 113.334 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.91 -2.59 71.57 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.156 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 7.9 t -120.16 -67.35 0.99 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.501 0.32 . . . . 0.0 110.776 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.13 36.76 1.59 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.004 0.522 . . . . 0.0 111.693 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.5 -172.35 3.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.784 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 61.8 mmt-85 -119.19 154.75 32.84 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 111.457 -174.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.653 ' CD2' HD23 ' A' ' 24' ' ' LEU . 70.7 m-85 -141.68 170.06 16.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.965 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.13 -9.71 6.49 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 42.9 mmtm -132.76 114.84 14.61 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -46.66 -42.23 16.07 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 120.674 0.273 . . . . 0.0 110.85 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -68.3 -46.12 71.18 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.12 -29.3 68.19 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.19 -34.3 65.9 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 169.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.5 88.0 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 171.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -49.84 75.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.19 -39.02 77.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 120.669 0.271 . . . . 0.0 111.144 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -59.1 -34.87 72.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.323 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -55.56 -38.12 68.91 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.18 -45.46 79.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.496 0.188 . . . . 0.0 110.579 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -71.52 -21.49 61.91 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -172.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.97 -29.71 63.47 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.535 0.207 . . . . 0.0 110.885 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.84 -0.59 60.32 Favored Glycine 0 CA--C 1.543 1.821 0 C-N-CA 121.58 -0.343 . . . . 0.0 112.531 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.04 -45.79 8.13 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.788 0.294 . . . . 0.0 110.687 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.36 86.6 8.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.253 172.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.77 167.42 25.81 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 112.493 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.3 m-85 -71.56 172.19 10.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.279 170.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -132.42 151.79 51.74 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.06 129.79 24.62 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.075 0.464 . . . . 0.0 111.375 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.3 -8.79 57.36 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.21 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.23 -17.46 64.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.317 0.247 . . . . 0.0 111.224 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER 71.7 -48.5 0.68 Allowed 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 123.666 0.787 . . . . 0.0 111.901 175.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -73.17 -14.09 61.29 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.658 0.266 . . . . 0.0 110.733 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.4 t -88.32 161.33 17.2 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.336 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.32 22.96 4.42 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.98 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -94.72 145.87 24.56 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -121.66 147.18 46.2 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.3 m-85 -132.12 139.33 48.42 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.613 -176.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p -72.25 -31.45 65.8 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.409 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -122.42 156.34 34.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.324 0.583 . . . . 0.0 111.404 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.21 77.63 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.045 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -69.37 -34.79 75.07 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.418 0.152 . . . . 0.0 111.3 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.41 -43.35 86.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.4 tp -63.34 -44.47 94.77 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.72 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.89 -41.15 97.54 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.848 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -58.7 -47.37 84.79 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.2 t60 -60.77 -39.62 89.48 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.187 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -53.41 -38.11 63.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.967 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.14 -33.39 62.86 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 122.476 -0.14 . . . . 0.0 110.987 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.36 -37.03 85.69 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.251 0.22 . . . . 0.0 111.299 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -87.0 -35.09 18.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.661 0.267 . . . . 0.0 111.061 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.2 p -82.12 -26.41 33.58 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.1 11.91 84.62 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 121.568 -0.349 . . . . 0.0 112.369 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.1 t -76.17 114.63 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.08 86.48 46.88 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.96 7.41 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.688 2.259 . . . . 0.0 113.029 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.591 ' HB3' HD13 ' A' ' 82' ' ' LEU . 87.0 m-85 -86.35 92.67 8.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -101.71 134.97 44.02 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.773 0.32 . . . . 0.0 110.722 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.78 132.46 49.63 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -23.88 67.49 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.026 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -74.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.137 -172.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -88.88 -5.05 58.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.236 0.214 . . . . 0.0 111.418 -173.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 64.84 20.58 12.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.765 0.426 . . . . 0.0 111.483 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -65.65 139.1 58.38 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -112.4 135.29 53.27 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.894 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -131.57 159.7 37.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.513 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -106.73 9.24 31.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.942 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -140.35 126.66 19.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.1 p -66.53 -33.56 75.96 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.64 -38.38 90.04 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.754 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -68.4 -44.94 73.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.938 174.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.8 tt -65.06 -47.27 77.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.512 0.196 . . . . 0.0 110.913 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -62.86 -35.32 79.6 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.573 0.225 . . . . 0.0 110.782 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.2 m -66.76 -49.59 65.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.824 0.345 . . . . 0.0 110.633 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.48 -32.87 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.971 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -54.25 -40.92 68.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -62.23 -23.11 66.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.7 p -62.54 -26.5 68.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.565 0.221 . . . . 0.0 110.814 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -93.06 -29.29 15.87 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -91.79 -6.32 51.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.04 14.42 61.24 Favored Glycine 0 CA--C 1.548 2.151 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.71 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -73.09 100.68 3.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 80.56 10.23 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.308 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.32 -15.04 9.11 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.651 2.234 . . . . 0.0 113.163 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -85.32 76.16 10.16 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 p -83.8 142.69 30.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.962 0.41 . . . . 0.0 110.863 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.23 147.96 49.15 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -176.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.46 -4.38 24.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -63.42 149.79 91.09 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-O 120.606 0.241 . . . . 0.0 110.483 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.83 20.41 0.53 Allowed 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 122.756 2.304 . . . . 0.0 113.451 -170.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.7 p -172.84 64.55 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.641 0.258 . . . . 0.0 110.738 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 36.4 t -161.98 -82.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.681 0.276 . . . . 0.0 111.15 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.31 25.16 14.62 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.983 0.513 . . . . 0.0 111.713 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 146.36 54.58 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 169.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -121.2 131.43 54.23 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.354 -169.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -120.26 164.04 16.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.825 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.64 -3.12 31.01 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -134.64 146.02 49.15 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.148 0.499 . . . . 0.0 110.714 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.629 ' O ' HG13 ' A' ' 113' ' ' VAL . 6.3 p -57.75 -50.26 73.82 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.506 178.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -62.14 -33.56 74.72 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.57 -43.35 97.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.77 -40.61 84.02 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.204 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 109' ' ' SER . 17.1 m -61.59 -41.52 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.635 0.255 . . . . 0.0 110.646 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -66.14 -46.61 76.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.635 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.93 -45.9 74.88 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.953 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.14 -33.59 67.55 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.669 -0.242 . . . . 0.0 110.946 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -18.0 65.14 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.065 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.5 mtt -79.42 -18.27 52.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.476 0.179 . . . . 0.0 110.976 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.346 0.455 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 177.192 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 84.8 m-85 . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 120.591 0.234 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mtp -136.38 150.02 48.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 168.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.82 129.44 39.95 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.993 0.425 . . . . 0.0 110.942 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.84 -9.27 58.48 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.785 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -70.01 128.23 91.82 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 120.535 0.207 . . . . 0.0 110.463 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.73 -16.29 41.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.664 2.243 . . . . 0.0 113.224 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.99 -9.21 66.07 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.196 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 41.6 t -110.33 -75.89 0.62 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 122.325 0.25 . . . . 0.0 111.0 -174.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.91 29.95 1.82 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.065 0.546 . . . . 0.0 111.873 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 mppt? -84.37 167.38 16.57 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 171.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 151.52 20.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.092 0.473 . . . . 0.0 111.606 -171.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.604 ' CD2' HD23 ' A' ' 24' ' ' LEU . 75.9 m-85 -134.26 162.0 33.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.734 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -115.99 -14.09 11.24 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.318 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 88.6 mttt -132.03 113.9 13.93 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 122.402 0.281 . . . . 0.0 110.574 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 55.5 tp -45.3 -42.37 9.69 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 120.716 0.293 . . . . 0.0 111.111 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.12 -45.93 72.29 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.678 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.07 -29.24 68.96 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.604 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.19 -35.1 66.32 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 169.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -39.97 80.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.9 mmt -63.34 -49.8 72.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -58.03 -34.49 70.12 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.733 0.301 . . . . 0.0 111.06 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.7 m -58.79 -34.48 71.51 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -54.42 -38.06 65.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.635 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.27 -47.43 78.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.462 0.172 . . . . 0.0 110.701 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -70.44 -21.43 62.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -171.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -56.25 -27.4 54.9 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.453 0.168 . . . . 0.0 110.986 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.5 -6.38 59.77 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 121.598 -0.334 . . . . 0.0 112.613 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -93.35 -36.04 12.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.807 0.304 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -143.85 85.19 9.28 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.417 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.14 164.55 35.31 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.521 2.148 . . . . 0.0 112.233 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 54' ' ' LEU . 93.0 m-85 -73.9 162.77 28.73 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.7 143.28 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.77 151.26 47.81 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.06 -1.84 28.5 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 43.1 t80 -71.84 114.36 9.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -19.61 65.83 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -169.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.92 9.15 23.12 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.75 -74.66 0.48 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.494 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 52.33 30.72 8.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 122.785 0.434 . . . . 0.0 111.411 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -81.44 156.18 25.49 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' H ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -112.84 141.46 46.63 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -176.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -134.13 139.26 45.78 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.691 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -68.97 -39.74 79.26 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.44 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.08 151.7 32.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.051 0.453 . . . . 0.0 111.226 -175.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.51 -39.37 76.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.771 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.37 -40.76 89.94 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -61.33 -46.47 90.11 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.3 tp -62.4 -48.26 80.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.797 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.64 -44.9 90.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.284 0.234 . . . . 0.0 111.308 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -59.81 -46.9 87.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.448 ' CD2' HE21 ' A' ' 58' ' ' GLN . 0.8 OUTLIER -60.59 -36.97 79.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 -177.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.448 HE21 ' CD2' ' A' ' 57' ' ' HIS . 29.4 mm-40 -53.12 -38.02 62.27 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.755 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.11 -33.27 62.68 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.935 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -57.39 -31.82 66.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.575 0.35 . . . . 0.0 111.652 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 25.3 p80 -132.24 55.46 1.88 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.338 0.59 . . . . 0.0 110.508 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -153.75 -49.53 0.09 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.369 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.93 -7.33 1.58 Allowed Glycine 0 N--CA 1.48 1.606 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.547 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 t 68.77 -68.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.48 0.712 . . . . 0.0 111.206 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -151.59 96.23 3.2 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-O 120.605 0.241 . . . . 0.0 111.268 -170.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 82.4 Cg_endo -88.92 -22.48 1.08 Allowed 'Trans proline' 0 CA--C 1.561 1.838 0 C-N-CA 122.726 2.284 . . . . 0.0 113.433 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 89.9 m-85 -78.22 86.7 4.33 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 120.734 0.302 . . . . 0.0 110.826 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.13 127.47 36.57 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.74 143.59 57.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.476 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -92.43 -12.91 30.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 175.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.71 -64.67 1.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.823 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 30.5 p -98.62 2.13 47.02 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 63.47 18.74 11.27 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.463 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 7.6 mmm180 -70.33 173.51 6.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.561 0.22 . . . . 0.0 110.628 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -137.33 142.94 41.83 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.541 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.97 162.08 33.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.8 m -97.8 -10.89 24.0 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.62 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -143.88 148.2 35.11 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -68.02 -31.32 70.92 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.045 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.38 -37.95 89.27 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 120.583 0.23 . . . . 0.0 110.812 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -71.51 -36.22 71.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.717 173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 8.1 tt -66.87 -47.63 71.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.275 0.083 . . . . 0.0 110.836 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -61.53 -39.47 91.14 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.81 0.338 . . . . 0.0 110.539 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.1 m -61.19 -49.57 76.65 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.289 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -62.34 -33.01 73.87 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.221 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.2 m -54.23 -38.99 66.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.745 0.418 . . . . 0.0 110.865 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -61.68 -22.46 65.34 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.71 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 m -54.4 -47.18 73.03 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.051 172.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.21 -27.55 60.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.681 0.277 . . . . 0.0 110.67 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -91.62 -6.26 52.55 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.91 24.1 59.97 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.189 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.12 123.3 34.48 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.039 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.6 87.9 40.27 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.288 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 85.2 Cg_endo -83.52 -18.45 5.78 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 122.511 2.141 . . . . 0.0 113.059 -175.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -84.26 78.42 9.79 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.013 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 t -78.65 142.23 37.35 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.668 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.479 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.9 t -70.4 161.33 30.7 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -86.12 0.53 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.622 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.8 m95 54.24 -179.87 0.03 OUTLIER Pre-proline 0 CA--C 1.576 1.965 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 26.8 Cg_exo -48.01 -43.75 29.52 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.314 2.01 . . . . 0.0 112.662 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 m -170.75 64.28 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.4 t -87.8 177.68 6.93 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.308 0.575 . . . . 0.0 111.121 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.4 tp-100 -160.7 13.97 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.908 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -79.4 137.55 37.32 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -128.52 132.46 48.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.09 165.37 12.97 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.908 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.06 -3.73 34.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -133.99 141.62 47.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.0 0.429 . . . . 0.0 110.629 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.1 p -57.15 -48.31 79.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.382 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.05 -33.78 76.17 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.78 -42.63 97.93 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.7 tp -67.37 -39.03 85.63 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.003 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.17 -45.71 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.44 -46.54 89.64 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.593 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.5 -49.54 69.93 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.65 -39.75 74.27 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.77 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -15.71 63.62 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.221 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.1 mtt -114.25 7.23 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.457 0.303 . . . . 0.0 110.973 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.739 0.305 . . . . 0.0 110.97 -173.361 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.95 0.405 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 64.1 mtt -136.23 158.76 43.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.573 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.444 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 40.4 t -103.04 124.72 49.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.378 171.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 -8.8 57.95 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.926 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.483 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 77.1 t80 -71.82 132.31 85.11 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 120.599 0.238 . . . . 0.0 110.824 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 89.1 Cg_endo -74.82 56.69 4.22 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 122.968 2.445 . . . . 0.0 112.385 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.52 57.68 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 43.8 t -152.13 175.67 12.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.675 0.39 . . . . 0.0 110.11 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.91 -20.34 65.89 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.428 169.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 9' ' ' CYS . 2.9 ttmt 71.51 15.7 6.08 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 123.138 0.575 . . . . 0.0 111.337 169.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 7.1 tmm_? -143.23 141.9 31.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.033 0.444 . . . . 0.0 111.408 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.773 ' CD2' HD23 ' A' ' 24' ' ' LEU . 36.8 m-85 -144.83 170.05 16.86 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -115.69 -37.62 3.91 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.285 -175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 14.7 tppt? -108.9 122.28 46.87 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.625 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.711 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.48 -45.29 36.65 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.044 179.188 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.6 ' H ' HD22 ' A' ' 21' ' ' LEU . 42.3 m -68.08 -45.93 72.43 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.535 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.08 -29.36 69.69 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.41 -38.9 65.42 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.205 169.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -38.76 77.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.99 -48.11 66.68 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 38.8 t60 -58.0 -35.25 70.97 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.635 0.255 . . . . 0.0 111.091 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -59.04 -35.04 72.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.303 -176.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -38.37 69.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.26 -47.34 78.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.534 0.207 . . . . 0.0 110.537 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.483 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 45.5 m-70 -75.67 -21.59 57.5 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -60.05 -27.02 66.6 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.13 -8.57 57.72 Favored Glycine 0 CA--C 1.541 1.705 0 CA-C-N 116.394 -0.366 . . . . 0.0 112.576 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.58 -30.81 20.23 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.783 0.291 . . . . 0.0 110.641 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.1 69.02 7.2 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.199 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.3 154.47 65.58 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.485 2.123 . . . . 0.0 112.266 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 54' ' ' LEU . 24.0 m-85 -90.17 166.25 13.49 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.383 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -132.54 151.2 52.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.73 151.88 37.21 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.345 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.93 -8.42 49.38 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.145 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.62 115.9 23.59 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.896 0.379 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.6 -18.45 65.33 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.008 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -91.34 0.27 57.54 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.126 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.9 t -117.4 -68.15 0.94 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 49.98 37.84 14.96 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.331 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.88 162.71 23.83 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 145.23 50.2 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.001 0.429 . . . . 0.0 111.316 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.5 m-85 -129.34 139.39 51.74 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.603 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 p -90.06 20.09 4.52 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.499 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -157.25 148.4 21.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.983 0.421 . . . . 0.0 110.954 172.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.4 p -62.85 -42.76 99.87 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.982 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.88 -33.85 76.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.003 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.48 -44.38 87.3 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.419 0.152 . . . . 0.0 110.688 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 37' ' ' TYR . 30.6 tp -63.61 -45.64 89.42 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.716 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -60.79 -42.48 97.65 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.4 -47.4 85.95 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.83 0.347 . . . . 0.0 110.295 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 41.9 t60 -60.75 -36.82 79.88 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.168 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -53.09 -36.73 61.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.525 0.33 . . . . 0.0 110.911 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 11.5 mmp_? -55.13 -32.89 62.41 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.023 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -55.75 -41.67 74.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.331 0.252 . . . . 0.0 111.443 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -93.63 -31.06 14.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.352 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -77.93 -26.09 48.71 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.817 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.3 -9.19 76.22 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.964 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 13.1 p -73.46 121.45 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -122.79 87.65 50.17 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.989 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.91 -20.1 11.97 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.752 2.301 . . . . 0.0 113.526 -169.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.2 m-85 -82.76 86.09 6.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -94.36 133.99 37.34 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.94 128.71 36.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.409 171.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -71.35 -16.27 62.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.883 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -71.99 0.57 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.019 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -93.77 -4.06 50.98 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.185 0.194 . . . . 0.0 111.522 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 66.71 19.56 10.75 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.758 0.423 . . . . 0.0 111.482 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -67.64 139.67 56.83 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -111.4 132.16 54.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.42 160.1 28.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.51 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -110.35 9.18 23.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -144.44 121.4 11.35 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.668 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -60.27 -29.4 68.78 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.223 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.64 -39.79 95.25 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -75.28 -38.07 60.57 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.4 tt -65.67 -47.38 75.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 121.366 -0.134 . . . . 0.0 110.64 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.28 -42.04 99.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.58 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 m -59.82 -49.48 77.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.779 0.323 . . . . 0.0 110.59 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.78 -38.73 92.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.6 m -54.96 -41.5 71.22 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -69.18 -23.0 63.87 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.959 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 p -68.97 -34.93 76.13 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.383 0.135 . . . . 0.0 110.739 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.29 -19.19 43.5 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 120.647 0.261 . . . . 0.0 110.546 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 m -91.69 -6.11 52.6 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.855 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.29 14.61 66.72 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 121.404 -0.427 . . . . 0.0 112.4 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.93 105.24 12.0 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.52 82.01 63.75 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.452 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -86.0 -14.73 4.99 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 122.8 2.333 . . . . 0.0 113.191 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -83.9 77.43 9.9 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.9 t -79.09 145.6 33.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.28 156.15 39.67 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.42 4.79 8.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.878 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -61.74 150.23 82.63 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 120.727 0.299 . . . . 0.0 110.713 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.95 23.25 0.3 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 122.997 2.465 . . . . 0.0 113.058 -174.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 m -161.53 23.13 0.12 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.29 0.236 . . . . 0.0 110.882 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 33.9 t -144.46 168.69 19.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.219 0.533 . . . . 0.0 111.223 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 1.1 tp-100 -164.38 29.5 0.07 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.04 171.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -68.15 143.62 55.32 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -123.79 133.85 53.74 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 111.171 -171.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.72 164.47 17.34 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.909 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.99 -3.42 32.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -130.54 139.77 50.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.985 0.421 . . . . 0.0 110.676 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.9 p -57.14 -48.16 79.38 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.303 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -64.52 -33.52 76.1 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.777 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.59 -43.06 97.79 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 173.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.87 -40.35 87.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.078 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.23 -47.39 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -60.9 -46.74 89.42 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.671 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -57.6 -47.39 82.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.985 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -56.69 -33.6 66.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.791 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -16.25 63.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.441 0.162 . . . . 0.0 111.212 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.8 mtt -81.03 -17.94 48.48 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.527 0.203 . . . . 0.0 110.97 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.346 0.452 0 CA-C-O 120.75 0.31 . . . . 0.0 110.469 177.146 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.3 ptt? -80.83 138.42 36.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.079 0.466 . . . . 0.0 110.78 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.37 140.31 56.23 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.666 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.02 -17.13 61.47 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.501 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 66.6 t80 -72.5 117.87 62.8 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-O 120.565 0.222 . . . . 0.0 110.984 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.89 110.72 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 122.637 2.225 . . . . 0.0 112.082 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.83 -38.84 2.08 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.2 -78.13 0.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m120 49.62 27.18 2.04 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.39 152.96 44.3 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.413 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -98.49 127.55 44.47 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.155 0.502 . . . . 0.0 111.094 -170.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 60.9 m-85 -109.34 170.32 8.13 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.441 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.98 -38.43 3.65 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.601 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 49.8 mtpt -97.39 115.55 27.94 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.653 0.263 . . . . 0.0 110.492 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -44.85 -47.19 11.08 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.797 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -67.93 -45.27 74.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.936 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.97 -30.92 71.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.586 0.231 . . . . 0.0 110.407 -178.595 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.1 -42.04 63.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.264 170.068 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -57.98 -38.79 76.72 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 tpt -64.31 -46.63 82.74 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -57.85 -36.81 72.82 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.574 0.225 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 p -59.07 -34.99 72.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.747 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 32' ' ' THR . 7.2 tmm_? -55.69 -38.23 69.38 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.4 -42.62 78.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.561 0.219 . . . . 0.0 110.469 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 74.8 m-70 -78.51 -21.39 48.96 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.354 -176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -59.72 -14.8 15.77 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.946 0.403 . . . . 0.0 109.945 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.93 40.23 1.68 Allowed Glycine 0 CA--C 1.544 1.866 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 169.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.92 60.6 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.782 0.433 . . . . 0.0 111.826 -172.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -146.65 160.54 41.02 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.499 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.11 90.55 0.55 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.096 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.5 m-85 -63.13 112.15 2.52 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.238 174.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.0 148.6 24.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.016 0.436 . . . . 0.0 111.12 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.25 153.0 44.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.775 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.99 -8.56 25.21 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.05 110.47 3.95 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -59.93 -25.62 65.3 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.986 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.74 8.89 13.19 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 120.546 0.212 . . . . 0.0 111.176 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.5 t -136.81 -81.43 0.38 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.673 0.389 . . . . 0.0 110.669 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 54.24 34.65 20.86 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 122.874 0.47 . . . . 0.0 111.657 -176.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 159.01 35.0 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 171.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -113.52 141.08 47.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.98 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 99.1 m-85 -130.3 148.82 52.17 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.8 p -99.19 21.83 11.31 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -161.81 150.8 15.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.415 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 p -63.93 -42.44 97.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -34.08 75.63 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.032 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.36 -48.9 79.17 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.0 tp -60.35 -49.86 75.9 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.91 -44.18 96.78 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.441 0.163 . . . . 0.0 111.056 -179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -57.72 -47.09 83.4 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.746 0.308 . . . . 0.0 110.247 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -60.48 -49.47 77.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.349 -178.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -54.7 -38.27 66.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.71 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.31 63.37 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.705 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -31.59 68.77 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -115.39 -5.13 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.0 p -102.25 -27.81 12.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.198 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.01 105.68 0.52 Allowed Glycine 0 N--CA 1.472 1.082 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -46.52 -79.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -169.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 64' ' ' VAL . 46.9 mmtt -144.04 80.66 12.23 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-O 120.615 0.245 . . . . 0.0 111.149 -171.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.2 -22.11 5.14 Favored 'Trans proline' 0 CA--C 1.552 1.412 0 C-N-CA 122.604 2.203 . . . . 0.0 113.324 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.41 94.46 7.99 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.531 0.205 . . . . 0.0 110.482 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -95.12 137.45 34.16 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.706 0.288 . . . . 0.0 111.279 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.76 147.43 53.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.411 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -85.7 -14.28 45.86 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -73.1 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -172.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.21 -2.97 59.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.382 0.273 . . . . 0.0 111.25 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 61.72 24.53 14.62 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 122.721 0.409 . . . . 0.0 111.228 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -64.85 164.15 12.97 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.62 138.11 49.95 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.997 0.427 . . . . 0.0 111.0 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -135.1 167.14 21.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.353 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 p -102.55 -15.16 16.5 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.937 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -136.75 152.82 50.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.048 0.451 . . . . 0.0 111.128 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 p -72.96 -34.56 66.57 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.26 -35.02 79.47 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.565 0.222 . . . . 0.0 110.591 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -68.59 -45.31 72.34 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.635 172.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.15 -47.65 79.07 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.402 0.144 . . . . 0.0 110.967 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.68 -37.03 80.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 m -65.84 -49.6 67.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.664 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.58 -34.59 75.87 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.936 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.8 m -54.39 -41.22 69.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.889 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -62.29 -22.8 66.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.234 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -54.58 -36.22 64.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.696 0.284 . . . . 0.0 110.814 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -86.9 -28.76 22.6 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.322 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.8 p -91.7 -6.4 52.08 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.75 9.37 55.88 Favored Glycine 0 CA--C 1.55 2.24 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.738 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.03 94.56 1.11 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -122.67 78.84 47.98 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.395 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -80.52 -18.63 9.37 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.783 2.322 . . . . 0.0 113.111 -174.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.21 81.09 8.96 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.758 0.313 . . . . 0.0 110.674 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 t -89.72 142.77 27.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.41 135.03 48.39 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.589 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 7.99 29.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.198 -175.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -58.85 151.61 53.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.43 23.7 0.32 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 123.038 2.492 . . . . 0.0 112.939 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.7 m -160.27 18.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.313 0.245 . . . . 0.0 111.038 177.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.3 t -150.09 152.68 35.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 120.805 0.336 . . . . 0.0 110.802 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -146.08 36.23 1.02 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.847 171.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 32.4 mtmm -71.17 166.38 21.61 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.281 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -128.79 144.81 51.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.13 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -133.73 155.75 49.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.52 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.15 3.92 44.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -134.27 134.77 42.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -57.11 -43.8 82.62 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.3 -33.47 75.35 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.581 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.66 -42.07 96.31 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.278 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.73 -42.62 90.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.881 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.1 -47.23 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.157 175.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -61.47 -46.77 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.766 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.413 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 75.2 t60 -55.76 -49.84 72.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.677 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -56.76 -38.17 72.07 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.914 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -18.68 63.62 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 120.524 0.202 . . . . 0.0 111.095 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -103.76 -1.6 27.69 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.036 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.344 0.334 0 CA-C-O 120.599 0.238 . . . . 0.0 111.091 -171.707 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.574 0.226 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.6 158.61 44.03 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.818 0.342 . . . . 0.0 110.607 169.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 144.08 44.77 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.986 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.22 -2.79 58.08 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.02 127.99 77.78 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-O 120.64 0.257 . . . . 0.0 110.479 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.08 -12.47 32.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.679 2.252 . . . . 0.0 113.094 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.25 7.31 72.34 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.133 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -134.59 -72.18 0.48 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.367 0.267 . . . . 0.0 110.765 -175.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.25 32.17 0.93 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.001 0.52 . . . . 0.0 111.645 -176.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -79.77 175.4 10.65 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -113.77 151.31 32.17 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.14 0.495 . . . . 0.0 111.415 -173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.691 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -139.59 161.23 38.0 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.384 -176.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -107.91 -45.5 3.97 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.313 -175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 85.5 mttt -92.91 117.95 30.6 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 tp -45.14 -47.94 12.21 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.728 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -67.86 -45.85 73.41 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.669 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.95 -30.42 71.55 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.063 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.27 -39.44 65.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.099 170.021 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.83 77.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.64 80.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.673 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.97 -39.87 79.21 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 120.643 0.259 . . . . 0.0 110.616 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -59.27 -35.08 73.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.26 69.2 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.48 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -45.53 80.39 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.602 0.239 . . . . 0.0 110.842 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -75.94 -21.29 57.19 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -51.03 -33.57 25.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.68 31.12 9.09 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 116.446 -0.343 . . . . 0.0 112.541 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -126.54 18.12 7.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.707 0.253 . . . . 0.0 110.943 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -94.31 106.7 24.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -73.62 81.52 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.439 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.728 ' HB3' HD22 ' A' ' 54' ' ' LEU . 55.7 m-85 -77.39 159.71 29.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -132.67 150.08 52.21 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.74 138.69 56.97 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.893 0.378 . . . . 0.0 110.769 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -98.66 8.71 44.61 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.019 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -70.73 159.46 34.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.118 0.485 . . . . 0.0 111.094 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -63.94 -37.21 86.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.404 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -128.58 62.61 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 33.9 t -147.61 171.7 15.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.592 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -157.65 15.46 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -76.57 145.61 38.88 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 149.24 40.03 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.129 0.49 . . . . 0.0 110.853 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.0 m-85 -130.96 164.66 24.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.2 p -103.68 -9.9 18.78 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.58 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -138.89 156.0 47.63 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-O 121.004 0.43 . . . . 0.0 110.941 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -40.52 85.65 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.65 176.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -69.31 -34.46 74.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.36 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -64.85 -46.58 81.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.692 0.282 . . . . 0.0 110.387 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -62.13 -46.5 88.74 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.794 174.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.61 -42.4 88.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.449 0.166 . . . . 0.0 110.893 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -61.08 -47.49 86.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.713 0.292 . . . . 0.0 110.341 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.4 t60 -60.64 -45.29 94.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.764 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -53.5 -38.27 63.55 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.06 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -33.28 66.45 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.202 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -63.44 -36.67 84.51 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.517 0.199 . . . . 0.0 111.069 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -84.21 -33.36 24.16 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.138 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.9 p -88.0 -23.87 23.69 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.48 7.25 63.93 Favored Glycine 0 CA--C 1.547 2.041 0 C-N-CA 121.587 -0.339 . . . . 0.0 113.207 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.6 t -52.5 -50.74 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 116.973 0.386 . . . . 0.0 111.225 -174.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 50.77 66.07 5.94 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.11 -19.68 22.54 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.744 2.296 . . . . 0.0 113.333 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' HB3' HD13 ' A' ' 82' ' ' LEU . 94.3 m-85 -81.85 91.7 6.57 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.767 0.318 . . . . 0.0 110.393 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -91.96 135.97 33.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.721 0.296 . . . . 0.0 110.673 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.68 135.35 55.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.472 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -19.69 65.8 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.279 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -76.53 0.53 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.009 -171.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -86.7 -5.02 59.24 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.504 0.192 . . . . 0.0 111.374 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 66.94 19.49 10.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.776 0.431 . . . . 0.0 111.409 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.29 140.5 58.5 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 172.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -105.5 132.59 51.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.647 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -128.8 156.26 43.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.449 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -100.01 -0.81 38.5 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.441 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -138.8 135.75 34.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -64.22 -32.08 73.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.136 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -68.15 -34.95 77.28 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.09 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -69.8 -40.86 75.72 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.851 -0.159 . . . . 0.0 110.626 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.0 tt -66.58 -44.71 81.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.479 0.18 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -62.0 -36.25 80.97 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.1 m -68.24 -49.52 60.12 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.631 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -64.64 -30.12 71.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -54.23 -40.81 68.03 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.787 0.435 . . . . 0.0 110.8 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -61.96 -23.14 66.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.039 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -58.07 -42.79 86.27 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.767 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -86.7 -24.34 25.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.73 -6.2 52.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.472 -171.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.42 56.69 Favored Glycine 0 CA--C 1.545 1.942 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.242 -177.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.28 108.64 17.88 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.876 0.369 . . . . 0.0 111.042 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.54 85.48 60.22 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.359 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.0 -18.33 3.6 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 122.777 2.318 . . . . 0.0 112.965 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.3 m-85 -83.51 79.92 9.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.898 0.38 . . . . 0.0 110.956 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.4 t -78.85 146.1 33.84 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.63 176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' HD11 ' A' ' 112' ' ' LEU . 13.4 t -70.38 161.14 31.02 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.31 171.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -124.04 1.58 8.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.859 -175.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -61.64 147.18 89.15 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.812 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.51 27.05 0.35 Allowed 'Trans proline' 0 CA--C 1.552 1.375 0 C-N-CA 123.103 2.535 . . . . 0.0 112.953 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.2 m -164.58 35.93 0.07 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.421 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 47.3 t -136.35 168.51 19.29 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.262 0.554 . . . . 0.0 111.315 -176.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.28 24.18 0.13 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.192 175.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -92.94 148.34 22.09 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.497 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -128.54 152.61 48.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.3 159.57 37.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.06 -5.26 50.83 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.278 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -135.62 144.47 46.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 12.9 p -58.25 -48.01 81.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.694 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.1 -33.75 76.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.315 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.75 -43.77 97.53 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.8 tp -65.75 -39.83 91.49 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.053 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.8 t -58.29 -45.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.636 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -54.29 -50.03 68.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.538 0.209 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -56.7 -38.57 72.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.894 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -17.66 63.64 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.035 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.4 mtp -107.25 3.99 26.11 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.423 0.289 . . . . 0.0 110.931 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.63 0.252 . . . . 0.0 111.001 -172.455 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.0 mtp -136.29 158.71 43.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 169.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.09 144.9 42.69 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.891 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.37 0.26 53.36 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 52.8 t80 -83.23 124.93 75.64 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 122.399 -0.188 . . . . 0.0 110.72 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.59 -25.63 50.96 Favored 'Trans proline' 0 C--N 1.364 1.348 0 C-N-CA 122.921 2.414 . . . . 0.0 113.451 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.34 1.12 85.99 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.582 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 t -127.93 -77.58 0.57 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.488 0.315 . . . . 0.0 110.608 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.15 26.94 14.33 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -85.62 -176.82 6.22 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.77 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 148.34 34.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.092 0.472 . . . . 0.0 111.31 -171.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 67.2 m-85 -133.83 170.08 16.11 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.991 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -124.0 -4.62 8.0 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.595 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -141.72 127.42 19.14 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.589 0.233 . . . . 0.0 110.658 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.65 -50.1 55.34 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.965 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.07 -45.88 72.61 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.649 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -31.64 72.95 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 120.672 0.272 . . . . 0.0 110.41 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.17 -38.75 66.08 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.171 170.012 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.0 -38.51 79.37 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.702 0.287 . . . . 0.0 110.359 174.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.6 tpt -65.03 -46.49 81.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.652 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.1 -35.64 71.72 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m -59.2 -34.51 72.24 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.71 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -55.25 -38.18 68.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.925 -0.125 . . . . 0.0 110.737 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -42.01 77.41 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.701 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 66.2 m-70 -88.58 -21.21 24.16 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.796 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -13.29 1.4 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.738 0.415 . . . . 0.0 111.696 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.53 38.0 1.95 Allowed Glycine 0 CA--C 1.542 1.777 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -127.04 11.18 7.03 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.05 120.03 72.21 Favored Pre-proline 0 CA--C 1.55 0.952 0 O-C-N 122.227 -0.296 . . . . 0.0 110.59 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.34 104.94 1.77 Allowed 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.638 2.225 . . . . 0.0 112.57 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 54' ' ' LEU . 75.7 m-85 -101.93 165.4 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.76 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -132.42 150.72 52.1 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.68 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.55 136.09 32.97 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 120.917 0.389 . . . . 0.0 111.129 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -75.63 -11.17 59.96 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.267 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -70.41 123.06 20.83 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.86 0.362 . . . . 0.0 110.477 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 8.3 0.66 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -171.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -132.98 10.38 4.22 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.131 0.172 . . . . 0.0 111.328 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.0 t -109.36 156.64 19.76 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 29.91 3.89 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.722 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.16 146.85 23.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.46 149.9 50.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.804 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 77.2 m-85 -132.64 164.62 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.654 -174.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 p -105.38 -5.81 20.1 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -144.15 150.11 37.55 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -40.61 74.85 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.37 -37.68 83.56 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.292 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.47 -47.85 83.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.672 0.272 . . . . 0.0 110.337 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -61.89 -47.05 86.71 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -59.08 -40.2 84.5 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.136 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -65.88 -43.85 87.07 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 81.2 t60 -60.77 -39.04 87.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.02 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -53.33 -38.22 63.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.184 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 7.9 mmp_? -55.35 -33.24 63.22 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.443 0.163 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.91 -36.81 84.6 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.344 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.71 -34.99 19.52 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.638 0.256 . . . . 0.0 111.044 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 p -83.24 -21.78 33.28 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.204 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.01 -2.14 44.24 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 121.784 -0.246 . . . . 0.0 112.977 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.423 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 8.3 p -69.98 147.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 111.123 -174.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -130.95 82.08 65.11 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.186 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -66.19 -23.88 52.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.801 2.334 . . . . 0.0 113.562 -169.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB3' HD13 ' A' ' 82' ' ' LEU . 47.0 m-85 -95.68 127.51 41.77 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -176.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -124.1 137.84 54.51 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.3 t -69.33 144.85 53.39 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.713 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -9.84 55.55 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 175.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -66.09 0.94 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.946 -172.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.81 -8.33 49.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.549 0.214 . . . . 0.0 111.106 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.79 20.06 10.65 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -80.79 155.97 26.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 120.596 0.236 . . . . 0.0 110.534 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -114.39 146.85 40.07 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.097 0.475 . . . . 0.0 111.318 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -136.22 158.62 43.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.99 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -98.13 4.77 49.05 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.619 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.25 140.58 39.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.723 0.296 . . . . 0.0 110.999 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -64.93 -34.77 79.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.901 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.49 -35.42 73.25 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.477 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -76.81 -36.03 57.19 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.641 175.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.7 tt -66.08 -47.14 75.24 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.406 0.145 . . . . 0.0 110.672 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.61 -36.43 83.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.708 0.29 . . . . 0.0 110.648 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -63.76 -49.39 73.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.629 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.446 ' O ' ' HB ' ' A' ' 88' ' ' THR . 54.0 t60 -63.67 -30.99 72.03 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.9 m -60.64 -41.49 95.04 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.202 -0.311 . . . . 0.0 110.374 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -65.29 -23.15 66.95 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.951 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 64.2 m -70.65 -31.84 68.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.858 -0.156 . . . . 0.0 110.756 175.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.97 -23.1 27.03 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.62 0.247 . . . . 0.0 110.847 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.0 m -91.81 -6.11 52.26 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.109 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.63 16.27 50.24 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.271 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.82 98.18 5.49 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.903 0.382 . . . . 0.0 110.589 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -118.56 82.61 19.9 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -83.36 -16.6 6.94 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.761 2.307 . . . . 0.0 113.006 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 109' ' ' SER . 92.5 m-85 -84.08 76.79 10.04 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.828 0.347 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 p -82.17 144.74 30.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.6 t -70.44 161.12 31.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -113.2 -4.45 13.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.095 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -67.21 134.64 93.48 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.51 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.66 37.86 0.59 Allowed 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 123.026 2.484 . . . . 0.0 113.003 -171.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.6 m -165.62 35.38 0.06 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.261 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 t -147.93 -87.13 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.186 -170.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.91 27.46 16.83 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.538 -173.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.06 158.93 35.05 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -128.43 148.82 50.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.011 0.434 . . . . 0.0 111.535 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -132.9 160.1 38.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.576 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.51 2.06 47.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -135.68 136.22 40.72 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.97 0.415 . . . . 0.0 110.655 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.407 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.3 t -57.04 -45.21 83.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.553 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.01 -33.49 75.67 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.52 -42.47 96.51 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.7 tp -66.66 -40.23 88.56 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.013 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.22 -44.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 120.67 0.272 . . . . 0.0 110.272 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.79 -46.65 87.02 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.656 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.31 -48.87 70.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.786 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -56.78 -39.78 74.69 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.012 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -71.79 -15.63 62.16 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 120.497 0.189 . . . . 0.0 111.175 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.9 mtt -107.98 8.42 28.38 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.441 0.296 . . . . 0.0 110.873 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.345 0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.014 -173.754 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -136.49 158.6 44.06 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.66 146.18 46.73 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.8 -7.4 43.49 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.693 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -76.66 121.07 84.2 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 122.304 -0.247 . . . . 0.0 110.747 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.04 101.99 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.664 2.243 . . . . 0.0 112.044 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.7 -34.21 2.19 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.657 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -93.32 -79.25 0.41 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m120 49.19 31.79 3.82 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.275 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -79.34 166.74 21.76 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.75 159.49 14.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.499 0.666 . . . . 0.0 111.719 -170.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.742 ' CD2' HD23 ' A' ' 24' ' ' LEU . 72.0 m-85 -144.74 170.3 16.37 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.613 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -120.44 -47.33 2.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.562 0.22 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 71.7 mmtt -86.52 121.39 28.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.691 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.05 -45.44 32.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.76 175.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -46.1 71.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.45 -30.16 70.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.342 -177.006 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.742 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.43 -39.1 65.27 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.295 169.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -58.28 -38.54 77.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -46.56 70.88 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.02 -39.48 78.46 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.365 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -59.29 -34.89 72.83 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.837 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.9 ttp85 -55.7 -38.43 69.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.85 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -56.48 -42.3 78.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.596 0.236 . . . . 0.0 110.57 177.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -82.42 -21.48 35.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.401 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -24.03 67.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.06 11.21 69.63 Favored Glycine 0 CA--C 1.543 1.789 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.354 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -124.46 4.45 8.35 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.613 0.365 . . . . 0.0 111.123 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 115.51 42.78 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.497 0.189 . . . . 0.0 110.573 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.03 108.24 2.41 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.586 2.191 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.776 ' HB3' HD22 ' A' ' 54' ' ' LEU . 66.9 m-85 -110.35 160.07 16.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 173.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -132.47 145.34 51.11 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.01 132.15 46.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.869 0.366 . . . . 0.0 110.663 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.06 -2.94 50.2 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.247 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.63 119.84 13.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -64.99 -5.84 7.18 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -169.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -121.08 10.13 10.68 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 122.129 0.171 . . . . 0.0 111.318 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -99.88 170.93 8.18 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 110.695 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -151.31 34.56 0.57 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.709 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -108.84 142.93 38.71 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.912 0.387 . . . . 0.0 110.677 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -121.81 148.13 45.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 84.3 m-85 -126.25 164.63 20.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.301 -177.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -106.38 2.11 26.25 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.612 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -153.57 152.77 31.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.216 0.532 . . . . 0.0 111.198 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -42.09 84.79 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.007 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -34.15 74.07 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.305 -176.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -62.86 -48.39 79.21 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.667 0.27 . . . . 0.0 110.344 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.2 tp -62.26 -49.83 74.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 177.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -57.05 -44.14 82.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.575 0.226 . . . . 0.0 110.881 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -58.67 -45.71 88.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.402 173.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 72.6 t60 -60.61 -36.85 79.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.934 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -53.36 -38.21 63.11 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.825 -0.17 . . . . 0.0 111.29 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -33.14 63.19 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 122.359 -0.213 . . . . 0.0 110.929 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.72 -37.41 81.64 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.428 0.156 . . . . 0.0 111.176 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -87.59 -38.51 15.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.645 0.259 . . . . 0.0 111.083 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -78.44 -20.69 50.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.181 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.96 -0.66 71.71 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 116.603 -0.271 . . . . 0.0 112.631 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.76 124.26 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.946 0.403 . . . . 0.0 110.948 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -119.29 87.59 35.78 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.919 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.52 -17.49 7.43 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.578 2.185 . . . . 0.0 113.226 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -87.71 90.37 8.35 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.729 0.299 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -97.22 140.78 31.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.806 0.336 . . . . 0.0 110.995 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.43 140.41 55.78 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -12.77 58.58 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.941 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -63.81 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.2 p -98.58 -4.16 34.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.539 0.209 . . . . 0.0 111.44 -175.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 60.86 21.07 11.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.786 0.434 . . . . 0.0 111.607 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 tpt85 -73.43 146.29 45.16 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.363 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -100.93 148.17 25.31 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 110.907 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -140.08 156.16 46.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.984 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 p -99.38 -8.78 24.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.695 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -136.82 141.7 42.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.869 0.366 . . . . 0.0 110.956 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 p -64.74 -32.74 74.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.226 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -66.51 -36.42 82.68 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.074 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -75.21 -36.5 61.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.895 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.72 -47.55 74.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.461 0.172 . . . . 0.0 110.555 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.4 -34.41 77.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.636 0.255 . . . . 0.0 110.641 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 m -66.8 -49.56 65.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.718 0.294 . . . . 0.0 110.584 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.64 -31.89 73.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -54.26 -41.01 68.31 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 122.722 0.409 . . . . 0.0 110.79 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -62.11 -23.11 66.34 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.997 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 m -59.05 -44.72 91.84 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.657 0.265 . . . . 0.0 110.917 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -82.47 -22.48 35.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.706 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.8 -6.26 52.03 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.253 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.97 20.18 57.43 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.44 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 102.21 14.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -171.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -123.77 87.83 52.45 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.39 -15.91 3.36 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.752 2.301 . . . . 0.0 112.961 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -85.6 76.57 9.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.9 p -78.95 145.58 33.92 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.8 t -70.28 161.19 30.81 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 172.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.92 5.55 7.3 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -59.7 148.48 75.12 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-O 120.714 0.293 . . . . 0.0 110.627 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.51 27.45 0.31 Allowed 'Trans proline' 0 CA--C 1.553 1.434 0 C-N-CA 123.031 2.487 . . . . 0.0 113.316 -169.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 m -164.21 20.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.824 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.554 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 24.9 t -118.69 168.88 10.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.331 0.586 . . . . 0.0 111.628 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.16 15.95 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.177 178.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 26.6 mtmm -85.5 147.97 26.19 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -172.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -128.6 148.63 50.8 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.08 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -129.59 159.43 36.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.606 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.46 -1.5 50.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -133.7 137.88 45.52 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.936 0.398 . . . . 0.0 110.698 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -57.25 -45.97 83.46 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.84 -33.5 75.73 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.631 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.7 -43.11 98.19 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.95 -40.34 91.26 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.026 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.17 -44.47 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.33 -46.64 87.81 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.595 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -54.32 -49.25 70.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.716 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.67 -40.17 75.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.025 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -72.0 -15.62 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.471 0.177 . . . . 0.0 111.139 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.5 mtt -108.09 7.11 27.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.401 0.28 . . . . 0.0 110.828 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.686 0.279 . . . . 0.0 110.959 -173.65 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 120.688 0.28 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.13 17.22 0.08 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.4 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -66.48 -17.82 65.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.192 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -147.33 99.81 3.19 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.207 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -136.7 83.24 30.46 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.06 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.04 -36.01 83.15 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.729 2.286 . . . . 0.0 112.408 175.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 86.4 m-85 -135.39 161.79 34.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 175.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.42 158.69 43.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 168.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.52 140.06 46.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 110.73 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.03 0.93 57.43 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -80.55 126.96 77.23 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -68.45 -15.11 41.42 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.716 2.277 . . . . 0.0 113.103 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.72 -4.33 85.26 Favored Glycine 0 CA--C 1.542 1.752 0 C-N-CA 121.329 -0.462 . . . . 0.0 112.322 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.9 t -124.89 -75.89 0.59 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.431 0.292 . . . . 0.0 110.656 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.28 26.95 7.34 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.371 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -82.27 170.83 14.94 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.365 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -98.88 154.72 17.82 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.307 0.575 . . . . 0.0 111.652 -172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.639 ' CD2' HD23 ' A' ' 24' ' ' LEU . 73.2 m-85 -140.33 168.67 19.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.708 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.46 -35.2 3.14 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.311 -174.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.5 mppt? -103.82 118.15 36.02 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.295 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 1.9 pt? -49.16 -44.03 42.43 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.622 0.249 . . . . 0.0 111.098 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -68.06 -45.31 74.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.9 -29.42 70.6 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.599 0.237 . . . . 0.0 110.539 -179.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.22 -38.97 65.87 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.005 169.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.46 76.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 174.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.22 -47.72 72.92 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -57.86 -41.17 81.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.055 0.455 . . . . 0.0 110.584 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 t -59.07 -30.14 67.85 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.064 -176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -55.09 -38.07 67.64 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -40.08 73.38 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.512 176.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -81.23 -21.4 39.54 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -57.47 -23.25 48.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 122.296 -0.252 . . . . 0.0 111.019 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.55 21.4 39.08 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 116.529 -0.305 . . . . 0.0 112.418 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -128.97 16.52 6.24 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.511 0.324 . . . . 0.0 111.374 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HE2' " H3'" ' C' ' 138' ' ' ' DC' . 56.5 mttp -105.04 102.32 35.3 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 122.226 0.21 . . . . 0.0 110.574 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.32 86.3 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.6 2.2 . . . . 0.0 113.165 -170.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 54' ' ' LEU . 78.9 m-85 -75.64 166.55 23.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.684 169.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.47 153.37 50.95 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.761 0.315 . . . . 0.0 110.691 175.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.46 143.06 46.83 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.01 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -91.11 -10.27 42.55 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.244 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 42.6 m-85 -70.27 156.37 39.36 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.038 0.446 . . . . 0.0 111.334 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -88.74 -8.74 53.93 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.594 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.56 13.76 29.53 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . 1.9 t -138.71 173.11 11.92 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.98 175.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -160.87 29.84 0.15 Allowed 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -85.8 161.81 18.96 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.596 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -130.24 141.38 50.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.5 m-85 -128.35 139.35 52.44 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.7 p -86.98 2.13 50.52 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -141.26 148.51 39.97 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 120.901 0.381 . . . . 0.0 110.747 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -44.52 92.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.796 178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.26 -37.63 88.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -62.51 -48.85 77.75 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.499 0.19 . . . . 0.0 110.752 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' TYR . 41.1 tp -62.2 -48.1 81.49 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.648 176.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -59.3 -41.34 88.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.532 0.206 . . . . 0.0 111.1 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.21 -47.46 82.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.254 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.4 t60 -60.74 -37.64 82.47 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.333 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -53.16 -38.33 62.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.543 0.211 . . . . 0.0 110.5 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -56.98 -33.23 66.89 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.556 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.25 -31.75 63.84 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.45 0.167 . . . . 0.0 111.054 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 85.0 m-70 -90.13 -39.81 12.63 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.307 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.1 p -77.24 -25.01 51.12 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.568 0.223 . . . . 0.0 111.137 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.92 4.65 88.64 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.577 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.7 126.83 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.004 0.43 . . . . 0.0 110.732 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -131.16 79.93 69.72 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.317 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.7 -16.65 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.783 2.322 . . . . 0.0 113.257 -171.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.679 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.9 m-85 -86.27 96.78 10.07 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -104.11 134.95 46.51 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 120.974 0.416 . . . . 0.0 110.953 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.12 140.59 58.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.903 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -77.64 -18.88 56.3 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.46 -65.25 1.01 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -172.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -99.96 -2.67 34.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.605 0.241 . . . . 0.0 111.37 -175.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.27 22.83 13.13 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.639 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -65.51 155.28 36.13 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -121.45 133.98 55.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.21 162.62 27.42 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.23 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t -113.1 4.62 16.71 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.441 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -136.07 127.64 28.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.29 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -58.65 -32.76 69.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.995 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.77 -40.6 88.29 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.071 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.431 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.1 m-70 -67.68 -43.02 81.15 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.608 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.4 tt -65.69 -47.57 75.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.298 0.094 . . . . 0.0 110.829 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.42 -34.5 77.87 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.565 0.221 . . . . 0.0 110.448 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.3 m -65.64 -49.54 68.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' O ' ' HB ' ' A' ' 88' ' ' THR . 52.6 t60 -64.02 -31.7 72.99 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -57.52 -41.42 80.83 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.518 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -65.28 -24.53 67.33 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.115 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 35.2 m -67.21 -34.08 76.73 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.385 0.136 . . . . 0.0 110.75 174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -86.39 -22.04 26.83 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.529 0.204 . . . . 0.0 110.898 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.8 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.053 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.04 14.15 55.16 Favored Glycine 0 CA--C 1.545 1.914 0 C-N-CA 121.467 -0.397 . . . . 0.0 112.429 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.76 98.13 6.16 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.941 0.401 . . . . 0.0 110.615 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.18 80.14 27.53 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.73 -14.02 7.91 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.817 2.345 . . . . 0.0 112.936 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.12 74.44 10.48 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.823 0.344 . . . . 0.0 110.695 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -85.56 144.24 28.02 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 120.913 0.387 . . . . 0.0 110.752 176.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.1 t -70.03 154.44 41.94 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.251 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -111.74 0.32 16.22 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.292 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 16.6 m95 -64.97 157.27 76.95 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-O 120.511 0.196 . . . . 0.0 110.706 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 99' ' ' TRP . 31.6 Cg_exo -68.48 7.35 0.71 Allowed 'Trans proline' 0 CA--C 1.556 1.599 0 C-N-CA 122.827 2.351 . . . . 0.0 113.991 -170.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 m -174.88 74.4 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.589 0.233 . . . . 0.0 110.611 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 44.4 t -164.48 -80.7 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.896 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 62.41 14.93 7.31 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.153 0.581 . . . . 0.0 111.864 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -55.22 137.74 46.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -109.46 140.27 43.41 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.136 0.493 . . . . 0.0 111.555 -169.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -130.62 160.37 34.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.51 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.44 2.11 49.95 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -135.92 136.42 40.44 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.094 0.473 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.0 p -57.18 -47.11 82.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -65.76 -33.51 76.03 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.604 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -60.54 -44.82 95.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.82 -39.07 93.34 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.833 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.8 t -59.13 -47.48 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 120.463 0.173 . . . . 0.0 110.723 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -63.6 -46.48 85.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -54.4 -45.71 72.98 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.857 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -60.89 -33.88 73.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.1 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -71.53 -15.65 62.3 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.527 0.204 . . . . 0.0 110.931 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.7 tpp -79.11 -16.41 56.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.048 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 C--N 1.349 0.558 0 CA-C-O 120.79 0.329 . . . . 0.0 110.479 176.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.275 0 C3'-C2'-C1' 98.352 -3.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.221 0 P-O3'-C3' 122.036 1.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-C2' 101.366 -4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.247 0 O4'-C4'-C3' 108.286 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.403 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 C3'-C2'-C1' 98.989 -2.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.431 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.545 4.193 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C4'-C3' 109.416 3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.15 0 O3'-P-O5' 97.835 -3.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.94 2 O4'-C4'-C3' 110.012 4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.076 1 O4'-C1'-C2' 101.121 -4.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.377 3 C5'-C4'-C3' 106.114 -5.724 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.861 3 O4'-C4'-C3' 110.628 5.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 2 O3'-P-O5' 95.165 -4.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.57 7.425 1 O3'-P-O5' 93.803 -5.367 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . 0.488 " H3'" ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 1 O4'--C4' 1.398 -4.395 0 C5'-C4'-C3' 119.75 3.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.615 0 P-O3'-C3' 123.821 3.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.015 2 P-O3'-C3' 125.895 5.162 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.758 1 O3'-P-O5' 95.919 -4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 P-O3'-C3' 122.733 2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.887 0 C5'-C4'-C3' 109.487 -3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.411 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.624 2 O4'-C4'-C3' 110.608 5.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.411 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.42 -2.401 0 O4'-C4'-C3' 108.166 2.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C4'-C3' 108.546 2.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C4'-C3' 109.654 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.811 1 O3'-P-O5' 96.07 -4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 O4'-C4'-C3' 108.545 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.571 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.06 1 O4'-C4'-C3' 110.893 5.293 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.571 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.103 1 O4'-C4'-C3' 110.693 5.093 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 120.684 0.278 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m -61.81 -22.86 65.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.392 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.86 -6.54 59.49 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.643 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.83 88.76 1.03 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.914 0.388 . . . . 0.0 110.926 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -133.17 76.17 69.77 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.719 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.13 -45.7 39.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.67 2.247 . . . . 0.0 112.22 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -128.75 162.26 27.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.31 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.2 mtm -136.29 158.81 43.54 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 169.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.31 136.21 46.16 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.098 0.475 . . . . 0.0 110.858 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.3 -14.76 59.28 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.665 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 41.6 t80 -74.64 122.42 87.46 Favored Pre-proline 0 CA--C 1.552 1.056 0 CA-C-O 120.409 0.147 . . . . 0.0 110.975 -175.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -56.71 -24.63 55.98 Favored 'Trans proline' 0 C--N 1.363 1.323 0 C-N-CA 122.95 2.434 . . . . 0.0 113.395 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.24 -4.97 90.02 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.307 -0.473 . . . . 0.0 112.434 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 t -126.5 -73.65 0.61 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.467 0.307 . . . . 0.0 110.788 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 m120 45.29 38.55 3.57 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 122.788 0.435 . . . . 0.0 111.395 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -80.45 -179.65 7.26 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 171.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -104.46 154.76 19.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.111 0.482 . . . . 0.0 111.233 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.702 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -140.92 167.63 21.72 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.76 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -122.71 -35.04 3.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 33.3 mmtp -103.7 116.51 32.47 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.381 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.69 -42.38 16.44 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-O 120.618 0.247 . . . . 0.0 110.996 179.064 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.565 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -45.92 72.05 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.89 -29.43 69.32 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.662 0.268 . . . . 0.0 110.32 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.32 -39.23 65.42 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.165 169.683 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -58.23 -38.9 77.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.677 0.275 . . . . 0.0 110.37 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmt -66.33 -46.87 75.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.766 174.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -57.93 -35.0 70.48 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.0 m -59.24 -35.06 72.99 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.39 69.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.642 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.514 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -58.26 -38.85 77.73 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 58.8 m-70 -86.2 -21.31 27.54 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -26.03 35.77 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.455 0.169 . . . . 0.0 111.277 -177.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.21 -20.09 33.94 Favored Glycine 0 CA--C 1.551 2.294 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.51 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.79 -10.3 51.37 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.406 0.283 . . . . 0.0 110.99 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 65.6 8.84 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 122.813 0.445 . . . . 0.0 109.856 173.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.12 127.0 12.3 Favored 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 122.37 2.047 . . . . 0.0 112.473 -173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -73.4 162.4 29.35 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 169.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.75 152.43 51.76 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.0 t -66.91 154.33 41.3 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.421 169.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.37 11.57 13.09 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -65.74 -15.99 63.36 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.342 0.257 . . . . 0.0 111.381 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt 75.79 -45.09 0.53 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 123.541 0.736 . . . . 0.0 111.151 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.64 25.03 0.94 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 120.843 0.354 . . . . 0.0 110.71 173.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.3 t -148.5 -76.86 0.16 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.482 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 57.61 27.18 13.81 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -69.35 150.56 47.19 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -103.51 151.41 22.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.927 0.394 . . . . 0.0 111.167 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 94.5 m-85 -135.78 164.63 27.46 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.1 p -108.28 1.55 22.04 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.793 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.8 mtm-85 -150.35 157.45 43.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.022 0.439 . . . . 0.0 111.057 174.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -37.53 87.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.629 176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' CG ' ' H62' ' C' ' 141' ' ' ' DA' . 1.7 p30 -69.3 -36.49 77.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.439 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.436 HE21 ' NH2' ' A' ' 50' ' ' ARG . 61.0 mt-30 -63.69 -45.72 88.76 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.752 0.31 . . . . 0.0 110.192 176.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.5 tp -64.63 -47.6 77.96 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.981 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -61.27 -42.45 98.66 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 120.619 0.247 . . . . 0.0 110.999 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.99 -46.33 91.18 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.346 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 9.1 t60 -60.72 -41.75 95.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -53.44 -30.64 41.56 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 122.276 0.23 . . . . 0.0 111.496 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -54.95 -33.0 61.88 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.559 0.218 . . . . 0.0 110.587 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -55.8 -44.16 77.57 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.359 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -87.85 -39.02 15.18 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.6 p -70.44 -23.44 62.72 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.26 8.67 87.38 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 121.512 -0.375 . . . . 0.0 112.19 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.488 HG12 ' HD3' ' A' ' 66' ' ' PRO . 54.7 t -75.63 99.76 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.081 0.467 . . . . 0.0 110.726 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -115.84 77.88 6.85 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.979 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD3' HG12 ' A' ' 64' ' ' VAL . 83.3 Cg_endo -80.66 -20.38 7.99 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.848 2.365 . . . . 0.0 113.154 -170.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.607 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.1 m-85 -78.68 86.32 4.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -97.33 138.38 34.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.737 0.303 . . . . 0.0 110.649 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.68 133.5 52.29 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -12.64 59.2 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.96 -53.7 4.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.525 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 15.9 p -103.84 -104.28 0.3 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.172 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -164.59 11.04 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.94 120.14 9.07 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.506 -174.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -102.34 140.03 37.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.018 0.437 . . . . 0.0 110.787 -177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.95 159.95 40.36 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.374 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.1 m -106.61 4.09 27.6 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -138.74 123.87 19.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -62.07 -28.18 69.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.283 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -66.51 -37.46 85.1 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 120.523 0.202 . . . . 0.0 111.042 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 61.7 m170 -74.55 -36.56 63.1 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.854 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -66.79 -47.67 71.39 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -61.7 -34.37 75.65 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.653 0.263 . . . . 0.0 110.646 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 m -66.89 -49.52 65.36 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.64 174.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -63.74 -30.74 71.81 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.0 m -54.19 -40.57 67.68 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.927 0.491 . . . . 0.0 110.678 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -61.79 -23.17 66.04 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.103 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.404 HG23 ' OP1' ' B' ' 126' ' ' ' DC' . 9.7 m -57.27 -43.7 83.33 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.678 0.275 . . . . 0.0 110.713 173.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.64 -22.08 24.93 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.778 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.1 m -91.79 -6.4 51.83 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.399 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.49 12.11 44.53 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.57 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.83 103.07 6.58 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -173.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.79 82.52 54.92 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -87.48 -13.31 4.24 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.806 2.337 . . . . 0.0 113.124 -173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -84.13 76.3 10.09 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.928 0.394 . . . . 0.0 110.749 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.1 t -79.29 146.06 33.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 21.5 t -70.35 161.09 31.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.164 0.507 . . . . 0.0 110.953 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.48 2.61 8.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.95 -177.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -63.81 149.26 93.38 Favored Pre-proline 0 CA--C 1.555 1.153 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.83 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -68.03 20.34 0.13 Allowed 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.082 2.521 . . . . 0.0 113.868 -172.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.1 m -164.39 25.59 0.07 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.036 0.135 . . . . 0.0 110.985 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.519 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 45.0 t -141.45 163.71 32.2 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.389 0.614 . . . . 0.0 111.496 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.2 tp-100 -163.82 36.16 0.08 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.152 169.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -71.78 147.42 47.29 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.955 175.596 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.11 142.1 49.22 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.199 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -128.65 162.37 27.48 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.898 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.06 -2.85 39.28 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -134.68 144.23 47.68 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.144 0.497 . . . . 0.0 110.86 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.616 ' O ' HG13 ' A' ' 113' ' ' VAL . 13.5 p -57.65 -50.2 73.95 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.601 177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.45 -33.48 75.65 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.59 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -60.51 -42.57 96.68 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.971 -0.456 . . . . 0.0 109.911 174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -68.67 -40.39 80.19 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.144 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 109' ' ' SER . 17.4 m -60.9 -41.32 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -63.81 -46.6 84.4 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.675 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -54.4 -49.38 70.06 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.607 0.241 . . . . 0.0 110.605 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.84 -37.76 74.44 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.977 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -17.82 63.87 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.506 0.194 . . . . 0.0 111.079 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.1 mtp -105.61 1.0 26.96 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.906 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.616 0.246 . . . . 0.0 111.049 -171.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.069 0 C3'-C2'-C1' 99.747 -2.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.981 0 P-O3'-C3' 123.513 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . 0.404 ' OP1' HG23 ' A' ' 88' ' ' THR . . . . . . . . 0 O4'--C4' 1.413 -2.998 1 C3'-C2'-C1' 96.719 -4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.986 1 O3'-P-O5' 95.888 -4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.092 0 C3'-C2'-C1' 97.127 -3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.502 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.424 -2.025 0 O4'-C4'-C3' 108.462 2.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 5.996 0 O4'-C1'-C2' 109.593 3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-C2' 99.844 -5.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.983 1 O3'-P-O5' 95.945 -4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.93 0 O4'-C4'-C3' 108.938 3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.926 3 C5'-C4'-C3' 106.671 -5.353 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.254 0 O4'-C1'-C2' 102.513 -3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.381 -5.884 1 O4'-C4'-C3' 113.594 7.994 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.09 1 O4'-C1'-C2' 110.925 4.386 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.501 0 O4'-C4'-C3' 108.691 3.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.396 -2.719 1 P-O3'-C3' 125.919 5.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.153 1 O5'-C5'-C4' 118.217 5.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . 0.455 ' H62' ' CG ' ' A' ' 52' ' ' ASP . . . . . . . . 0 C3'--C2' 1.549 3.127 1 O4'-C4'-C3' 109.686 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.579 0 P-O3'-C3' 123.951 3.542 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.011 0 P-O3'-C3' 124.488 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.432 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 P--O3' 1.648 3.443 1 O4'-C4'-C3' 110.324 4.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.432 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.923 0 P-O3'-C3' 123.715 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 C5'-C4'-C3' 111.829 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.76 0 O4'-C1'-C2' 102.151 -3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.998 1 O4'-C4'-C3' 110.158 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 O4'-C4'-C3' 108.461 2.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.542 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.405 -3.767 0 O4'-C4'-C3' 108.493 2.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.542 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.62 2.689 0 C3'-C2'-C1' 98.948 -2.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 120.602 0.239 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -64.01 -23.68 67.43 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.681 0.277 . . . . 0.0 111.199 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.47 3.77 42.55 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.37 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -104.97 82.14 1.83 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.001 0.429 . . . . 0.0 110.643 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.88 168.06 12.16 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.99 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.51 111.92 1.29 Allowed 'Trans proline' 0 CA--C 1.548 1.218 0 C-N-CA 122.489 2.126 . . . . 0.0 113.0 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -106.99 178.86 4.43 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.228 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 82.7 mtp -136.14 156.88 48.04 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 42.1 t -90.95 137.35 32.43 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.563 171.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.91 -13.13 59.6 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.383 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 45.9 t80 -79.82 132.98 59.32 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.64 -34.35 25.49 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.411 2.074 . . . . 0.0 112.654 -174.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.64 62.21 2.34 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 112.067 -0.413 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 39.2 t -146.5 177.56 8.95 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.854 0.359 . . . . 0.0 110.129 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -70.5 -24.48 62.85 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.145 169.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 37.1 mtmm 64.53 23.64 12.92 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 123.562 0.745 . . . . 0.0 111.741 171.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -141.86 142.26 33.11 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.838 ' CD2' HD23 ' A' ' 24' ' ' LEU . 37.2 m-85 -145.01 170.23 16.56 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.453 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -120.68 -12.31 8.89 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HB3' ' CG ' ' A' ' 23' ' ' HIS . 11.1 tppt? -131.81 132.54 43.83 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.261 0.224 . . . . 0.0 110.628 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -52.9 -53.14 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.0 p -67.91 -46.03 72.71 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.65 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.99 -30.16 71.13 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.36 -177.341 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.37 -40.69 64.16 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.378 170.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -58.25 -41.19 83.67 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.654 0.264 . . . . 0.0 110.397 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -44.74 79.09 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 36.5 t60 -57.93 -39.8 78.89 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 120.768 0.318 . . . . 0.0 110.7 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -59.24 -34.93 72.81 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.537 -176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -55.84 -38.48 70.11 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.69 -33.66 71.88 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.412 0.149 . . . . 0.0 111.169 -177.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.1 m-70 -79.5 -20.85 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -175.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -48.69 -33.0 9.29 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.69 0.82 59.61 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.662 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -103.13 3.52 35.96 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.749 0.275 . . . . 0.0 111.14 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -113.95 83.0 7.28 Favored Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 170.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.18 171.51 18.16 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.853 2.369 . . . . 0.0 113.308 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -137.01 176.0 9.1 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.519 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -132.7 157.7 44.22 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.648 0.261 . . . . 0.0 110.483 170.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -68.92 146.52 52.72 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 170.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -90.28 -9.92 46.13 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.039 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 14.9 t80 -72.51 109.95 6.55 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.92 0.391 . . . . 0.0 109.949 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -68.17 -13.17 62.03 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.088 -169.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.0 -1.65 58.21 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.576 0.226 . . . . 0.0 110.93 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 3.6 t -118.32 -66.34 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 52.8 32.42 12.24 Favored 'General case' 0 CA--C 1.561 1.397 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -72.07 155.26 40.49 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -113.52 145.81 40.62 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 98.8 m-85 -127.65 164.64 21.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.505 -176.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.2 p -105.16 -25.98 12.26 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.425 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -128.99 149.83 50.66 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.862 0.363 . . . . 0.0 110.768 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.1 t -61.48 -39.46 91.0 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -67.96 -33.84 75.42 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.012 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.56 -44.95 96.1 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.799 0.333 . . . . 0.0 110.277 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.86 -46.31 75.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.037 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -61.75 -41.19 97.35 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 120.431 0.158 . . . . 0.0 110.858 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -60.63 -47.49 86.01 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.721 0.296 . . . . 0.0 110.309 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.46 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 19.8 t60 -60.78 -41.75 96.19 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -53.44 -29.8 37.35 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 122.657 0.383 . . . . 0.0 111.508 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -55.01 -32.85 62.13 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 120.551 0.215 . . . . 0.0 110.685 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -55.67 -38.15 69.23 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.762 0.425 . . . . 0.0 111.542 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -99.04 -38.43 8.96 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.594 0.235 . . . . 0.0 111.235 -173.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.8 p -72.23 -28.88 63.45 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.68 1.2 83.27 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.762 175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.1 110.78 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.133 0.492 . . . . 0.0 110.713 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -114.92 83.47 9.47 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.908 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.13 -17.71 13.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.529 2.153 . . . . 0.0 113.408 -170.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.595 ' HB3' HD13 ' A' ' 82' ' ' LEU . 91.9 m-85 -87.67 89.21 7.91 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -98.66 130.02 45.16 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.718 0.295 . . . . 0.0 111.014 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.31 128.56 36.88 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.269 170.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mmpt? -80.1 -4.84 54.48 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.1 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.74 -68.23 0.8 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.431 0.292 . . . . 0.0 110.665 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -91.46 -4.09 55.92 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.39 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 69.69 12.89 8.14 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.846 0.459 . . . . 0.0 111.517 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -70.79 147.5 48.87 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 120.604 0.24 . . . . 0.0 110.721 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -114.13 127.9 56.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 110.844 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -121.11 160.7 23.15 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.462 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.8 p -107.33 0.67 23.22 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.524 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -139.52 129.38 24.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 p -61.9 -33.47 74.28 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.32 -35.49 80.51 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.541 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.9 m170 -76.3 -37.12 57.91 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.883 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.92 -45.53 85.46 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.467 0.175 . . . . 0.0 110.558 176.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.66 -34.38 78.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.56 0.219 . . . . 0.0 110.612 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.9 m -65.3 -49.41 69.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.498 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.442 ' O ' ' HB ' ' A' ' 88' ' ' THR . 31.6 t60 -64.42 -31.16 72.25 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 177.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.8 m -55.71 -41.22 73.51 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.585 0.231 . . . . 0.0 110.503 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -63.08 -25.41 68.35 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 116.713 -0.222 . . . . 0.0 111.178 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 38.3 m -66.25 -37.16 84.85 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.341 0.115 . . . . 0.0 110.76 174.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -82.04 -22.36 36.47 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.6 0.238 . . . . 0.0 110.721 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.3 m -91.87 -6.2 51.95 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.147 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.98 16.85 49.58 Favored Glycine 0 CA--C 1.546 2.021 0 C-N-CA 121.408 -0.425 . . . . 0.0 112.346 -175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -81.09 116.75 21.17 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.86 0.362 . . . . 0.0 110.926 -172.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -126.92 83.84 64.78 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.35 -18.7 3.94 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.655 2.236 . . . . 0.0 112.924 -174.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.8 m-85 -80.54 77.87 7.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.921 0.391 . . . . 0.0 110.702 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.7 m -78.83 140.77 38.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' A' ' 112' ' ' LEU . 12.2 t -70.34 148.32 48.59 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.129 0.49 . . . . 0.0 110.893 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.3 -11.64 45.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.943 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -74.46 132.77 78.12 Favored Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.01 -47.88 1.6 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.58 2.187 . . . . 0.0 112.339 -174.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -76.52 54.09 0.91 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.636 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.8 t -167.77 -84.02 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 53.97 30.7 12.16 Favored 'General case' 0 CA--C 1.562 1.412 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.678 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -70.98 154.85 41.47 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -128.43 127.6 42.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 111.037 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.68 162.62 16.03 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.976 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.54 0.28 41.99 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.223 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -137.06 137.92 39.86 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.003 0.43 . . . . 0.0 110.609 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.8 p -57.12 -46.8 82.33 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -62.89 -33.72 75.89 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.585 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -60.72 -44.34 96.72 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 174.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 97' ' ' CYS . 52.2 tp -68.44 -37.82 80.58 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.112 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.3 t -58.23 -47.41 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.182 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.29 -46.45 90.28 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.48 -49.82 69.23 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.877 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -57.22 -37.28 72.0 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.574 0.226 . . . . 0.0 110.865 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -15.66 63.66 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.096 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -114.2 7.7 16.65 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.96 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.014 -173.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.285 0 O5'-C5'-C4' 105.488 -3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.075 0 C4'-C3'-O3' 104.31 -2.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C1'-O4'-C4' 104.601 -3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.719 0 O4'-C4'-C3' 108.334 2.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.421 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.122 0 P-O3'-C3' 122.96 2.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.541 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 2 C5'--C4' 1.551 5.014 0 C5'-C4'-O4' 106.029 -2.107 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.338 2 P-O3'-C3' 124.98 4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.177 0 O4'-C4'-C3' 108.606 3.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.753 0 O4'-C4'-C3' 109.377 3.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.231 1 O3'-P-O5' 94.937 -4.77 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.659 6.62 3 C5'-C4'-O4' 117.369 4.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.833 1 C5'-C4'-C3' 108.382 -4.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.379 1 P-O3'-C3' 124.668 4.14 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.498 1 O3'-P-O5' 95.158 -4.654 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.324 0 C4'-C3'-C2' 100.107 -3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.733 1 P-O3'-C3' 125.878 5.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.387 -5.354 2 P-O3'-C3' 127.554 6.545 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 P-O3'-C3' 124.015 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.377 -3.309 0 P-O3'-C3' 123.433 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 C2'-C3'-O3' 119.23 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.41 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 1 P--O3' 1.659 4.341 2 O5'-C5'-C4' 116.217 4.298 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.41 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.598 1 C5'-C4'-C3' 106.807 -5.262 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.361 0 O4'-C4'-C3' 108.26 2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.074 0 O3'-P-O5' 96.472 -3.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.213 1 O4'-C4'-C3' 110.026 4.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.029 0 O4'-C4'-C3' 108.803 3.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.606 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C4'-C3' 108.876 3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.606 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.172 0 O4'-C4'-C3' 109.243 3.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.003 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -168.36 167.67 11.8 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.636 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.64 -49.0 79.12 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.649 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -103.04 164.6 11.52 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 119.56 61.89 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.493 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.479 ' HB3' HH21 ' A' ' 17' ' ' ARG . 52.0 Cg_endo -85.36 -172.56 1.18 Allowed 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.959 2.439 . . . . 0.0 112.645 -175.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -120.37 167.45 12.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 158.61 44.04 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 169.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 13.6 t -78.66 145.79 34.41 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 120.927 0.394 . . . . 0.0 110.622 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.56 -1.77 55.06 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.811 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -75.21 124.86 89.48 Favored Pre-proline 0 CA--C 1.555 1.15 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -54.9 -28.39 58.53 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 122.917 2.411 . . . . 0.0 113.539 -175.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.31 -3.79 86.74 Favored Glycine 0 CA--C 1.544 1.886 0 C-N-CA 121.371 -0.442 . . . . 0.0 112.538 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.8 t -115.4 -81.36 0.61 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.611 0.364 . . . . 0.0 110.68 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.54 21.1 9.6 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.609 0.364 . . . . 0.0 111.061 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -81.78 162.61 22.84 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 120.619 0.247 . . . . 0.0 110.508 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.479 HH21 ' HB3' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -98.7 158.78 15.39 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.277 0.561 . . . . 0.0 111.731 -171.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.756 ' CD2' HD23 ' A' ' 24' ' ' LEU . 64.7 m-85 -144.88 170.18 16.63 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.895 -176.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.25 -44.69 2.87 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.269 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 26.4 mtmm -95.29 121.1 36.59 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.589 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -50.8 -43.69 58.81 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.669 0.271 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.26 -46.08 71.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.681 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.11 -29.45 70.31 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 120.577 0.227 . . . . 0.0 110.478 -177.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.16 -40.38 64.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 170.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -38.46 76.22 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.712 0.292 . . . . 0.0 110.303 176.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -45.24 76.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 173.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -58.06 -45.39 87.16 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.194 -0.316 . . . . 0.0 110.638 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -59.23 -33.05 70.53 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.896 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.38 -37.89 68.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.568 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.25 -36.72 68.86 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.583 0.23 . . . . 0.0 111.148 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -71.42 -20.84 62.06 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.8 p -54.26 -20.16 6.57 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.32 16.81 57.68 Favored Glycine 0 CA--C 1.548 2.136 0 C-N-CA 121.674 -0.298 . . . . 0.0 112.486 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -127.28 20.98 6.75 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.446 0.298 . . . . 0.0 111.072 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HE2' " H3'" ' C' ' 138' ' ' ' DC' . 62.1 mttp -111.75 94.68 24.99 Favored Pre-proline 0 N--CA 1.475 0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.623 -177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.45 78.5 2.69 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.782 2.321 . . . . 0.0 112.496 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' HB3' HD22 ' A' ' 54' ' ' LEU . 88.6 m-85 -71.05 165.96 22.39 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.087 169.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -132.47 148.11 52.39 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.586 0.232 . . . . 0.0 110.599 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.4 t -65.94 148.84 51.17 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.595 169.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -93.28 -12.58 29.76 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.148 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -69.18 115.58 8.63 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.782 0.325 . . . . 0.0 110.229 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -59.98 -30.44 69.12 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.96 -169.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.93 9.23 10.48 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.513 0.197 . . . . 0.0 111.182 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.2 -74.07 0.53 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.532 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 48.12 34.05 4.04 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.616 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -78.8 155.72 29.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.786 0.327 . . . . 0.0 110.302 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -106.78 143.23 35.17 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.991 0.424 . . . . 0.0 110.95 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 92.2 m-85 -129.62 139.36 51.46 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.347 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -82.75 -5.65 59.01 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -170.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -145.55 153.14 40.77 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 t -58.01 -42.05 84.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.803 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.04 -42.6 98.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.144 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.76 -49.73 75.24 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.707 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 37' ' ' TYR . 34.1 tp -62.31 -46.11 90.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.814 177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -59.46 -45.44 91.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.484 0.314 . . . . 0.0 111.055 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -62.0 -47.43 84.81 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.752 0.31 . . . . 0.0 110.266 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 18.0 t60 -60.67 -39.61 89.04 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -53.19 -36.7 61.23 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.621 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -33.1 61.69 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.005 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.58 -38.59 69.57 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.563 0.345 . . . . 0.0 111.135 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -83.77 -24.36 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.174 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -74.33 -32.4 62.8 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 120.505 0.193 . . . . 0.0 110.94 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.82 -7.33 42.8 Favored Glycine 0 CA--C 1.547 2.04 0 C-N-CA 121.646 -0.312 . . . . 0.0 112.601 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.79 132.48 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.845 0.355 . . . . 0.0 110.749 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -126.76 86.24 59.06 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.243 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -82.31 -19.68 6.47 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 122.724 2.283 . . . . 0.0 113.135 -170.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.0 m-85 -82.31 88.37 6.54 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.49 135.81 34.38 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.685 0.278 . . . . 0.0 110.867 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t -64.92 139.7 58.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.088 0.47 . . . . 0.0 110.565 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.497 ' H ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -70.01 -21.67 63.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 175.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.8 -74.74 0.56 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -170.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -86.41 -6.22 58.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 122.324 0.25 . . . . 0.0 111.344 -175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 mm-40 65.53 19.87 11.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 122.745 0.418 . . . . 0.0 111.418 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -66.12 135.46 54.61 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -104.44 137.63 42.03 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.86 160.56 32.24 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.395 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -105.72 1.5 27.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -138.18 133.31 33.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 p -67.06 -33.7 76.07 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.04 -35.49 80.68 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.963 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.6 m-70 -68.8 -42.71 76.94 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 116.811 -0.177 . . . . 0.0 110.649 173.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.12 -47.56 76.7 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.401 0.144 . . . . 0.0 110.843 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -61.2 -36.18 79.19 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.67 0.271 . . . . 0.0 110.665 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 m -66.88 -49.66 64.93 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.69 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -63.32 -32.43 73.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.003 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.8 m -54.22 -41.15 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.629 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -63.65 -23.11 67.24 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.593 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 p -62.84 -25.96 68.52 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 120.55 0.214 . . . . 0.0 110.734 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -93.9 -28.81 15.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.199 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.71 -6.35 52.15 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.12 10.91 43.15 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.545 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -70.87 97.21 1.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.94 0.4 . . . . 0.0 110.853 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -123.51 80.89 54.06 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.05 -16.09 10.07 Favored 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 122.633 2.222 . . . . 0.0 113.133 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.69 76.55 9.95 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.951 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.8 p -79.39 137.47 37.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 11.8 t -70.33 133.87 47.37 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.378 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -105.65 8.45 33.11 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.194 -173.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -58.61 146.39 73.93 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.3 26.93 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.36 0 C-N-CA 123.075 2.516 . . . . 0.0 112.918 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 m -162.17 24.73 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.615 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.1 t -140.48 170.57 15.54 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.099 0.476 . . . . 0.0 111.186 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.447 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.0 tp-100 -166.53 27.29 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.438 173.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.93 151.78 38.86 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -128.49 129.74 46.5 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 -174.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -118.09 160.72 21.05 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.988 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.52 -2.77 35.01 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.119 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -131.95 139.57 48.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.669 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.625 ' O ' HG13 ' A' ' 113' ' ' VAL . 31.9 t -57.13 -47.47 81.05 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.554 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.59 -33.36 75.73 Favored 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 122.583 0.353 . . . . 0.0 111.857 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.48 -40.99 93.31 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.834 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.9 tp -69.77 -40.55 76.0 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.172 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 109' ' ' SER . 21.4 m -60.13 -41.55 86.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -65.54 -46.52 79.27 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.664 173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.38 -45.03 80.72 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.643 0.258 . . . . 0.0 111.015 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.76 -34.22 69.32 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.0 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -72.41 -15.65 61.84 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.243 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.0 mtt -75.34 -19.0 59.86 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 120.407 0.146 . . . . 0.0 110.918 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 . . . . . 0 C--N 1.347 0.497 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 177.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 0 C5'-C4'-C3' 110.111 -3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 0 O4'-C4'-C3' 108.083 2.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.082 0 C3'-C2'-C1' 97.504 -3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.992 0 O3'-P-O5' 97.394 -3.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 0 C2'-C3'-O3' 116.524 2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.448 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.421 -2.295 0 P-O3'-C3' 122.844 2.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 3 O4'-C4'-C3' 111.155 5.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 2 O4'-C4'-C3' 110.427 4.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.771 0 P-O3'-C3' 123.281 2.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.86 0 O4'-C4'-C3' 109.003 3.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.37 -6.89 1 C3'-C2'-C1' 96.538 -4.401 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.128 2 O5'-C5'-C4' 103.524 -4.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.377 -6.276 1 O4'-C4'-C3' 109.781 4.181 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.626 1.576 1 O3'-P-O5' 94.315 -5.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . 0.49 " H3'" ' HE2' ' A' ' 35' ' ' LYS . . . . . . . . 2 O4'--C4' 1.391 -5.005 0 O4'-C1'-C2' 109.593 3.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 P-O3'-C3' 124.956 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.654 6.092 1 O5'-C5'-C4' 119.483 6.631 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.221 0 P-O3'-C3' 123.561 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.704 0 O4'-C4'-C3' 108.743 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O3'-P-O5' 97.132 -3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.534 1 C5'-C4'-C3' 107.943 -4.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 0 O4'-C4'-C3' 109.43 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.545 4.227 0 P-O3'-C3' 123.552 3.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C4'-C3' 109.401 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.923 1 O4'-C4'-C3' 110.177 4.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 O4'-C4'-C3' 109.023 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.495 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O5' 1.613 1.988 2 O4'-C4'-C3' 111.342 5.742 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.495 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.628 3.54 0 O4'-C4'-C3' 108.174 2.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.576 0.227 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 p -62.68 -31.24 72.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.208 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.22 -8.0 53.88 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.276 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -125.27 19.95 8.16 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -63.07 151.43 86.3 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.71 168.53 23.47 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.584 2.189 . . . . 0.0 112.143 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -90.64 174.56 7.44 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.443 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.411 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 83.7 mtp -136.06 158.82 43.49 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.052 0.453 . . . . 0.0 111.52 -177.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.43 155.84 21.65 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.107 169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.13 5.75 20.3 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.732 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 13.4 t80 -97.21 125.46 45.61 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.608 0.242 . . . . 0.0 110.81 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -71.51 83.66 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.635 2.223 . . . . 0.0 112.261 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.46 -17.44 0.43 Allowed Glycine 0 CA--C 1.539 1.587 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.342 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 28.9 t -88.65 -171.75 3.45 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.205 0.526 . . . . 0.0 110.959 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 8.5 m-80 -61.19 -36.23 79.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.171 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.65 6.35 5.79 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.778 0.431 . . . . 0.0 110.966 -174.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 34.1 mmt180 -146.34 144.49 29.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.759 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.733 ' CD1' HD23 ' A' ' 24' ' ' LEU . 32.6 m-85 -144.81 169.99 16.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.291 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -117.44 -15.76 10.27 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 40.4 mmtm -131.14 123.88 29.52 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.689 0.281 . . . . 0.0 110.621 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.3 tp -49.03 -49.12 42.69 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 p -68.11 -46.03 72.07 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.013 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.18 -30.76 71.7 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.749 0.309 . . . . 0.0 110.281 -177.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.733 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.42 -39.04 65.34 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.151 170.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.12 -43.62 87.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -45.34 93.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.713 173.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 38.0 t60 -57.79 -34.1 69.24 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.612 0.244 . . . . 0.0 111.161 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -58.71 -34.39 71.27 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -54.76 -38.13 66.84 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.506 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.51 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 37.8 ttpt -56.41 -47.52 78.85 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.799 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 44.7 m-70 -89.87 -21.43 22.53 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -171.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -14.49 41.42 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.485 0.183 . . . . 0.0 111.087 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.41 5.06 33.24 Favored Glycine 0 CA--C 1.549 2.208 0 CA-C-N 116.411 -0.358 . . . . 0.0 112.412 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -109.12 -46.26 3.62 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.457 0.303 . . . . 0.0 110.872 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.24 90.77 25.45 Favored Pre-proline 0 N--CA 1.472 0.651 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.281 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.74 162.29 29.97 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.566 2.178 . . . . 0.0 112.59 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HB3' HD22 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.02 171.33 10.82 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.708 169.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -132.47 152.0 51.69 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.1 t -54.87 134.29 48.21 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -99.29 9.77 42.71 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.41 163.18 21.4 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 121.065 0.46 . . . . 0.0 111.137 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -69.05 -27.67 65.85 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.422 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -140.57 71.55 1.37 Allowed 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 120.892 0.377 . . . . 0.0 110.726 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.2 t -155.8 170.83 21.18 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.382 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -157.29 28.51 0.29 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.712 178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -83.92 154.62 23.28 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -123.27 150.72 43.15 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 90.6 m-85 -132.45 164.69 26.0 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.603 -175.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.0 t -104.65 -1.92 25.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.583 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.7 ttp-105 -153.96 152.98 31.19 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.816 0.341 . . . . 0.0 111.075 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 t -57.75 -34.14 69.22 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.002 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.0 -42.53 80.57 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.975 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -61.53 -42.94 99.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 110.382 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.3 tp -64.18 -47.88 78.12 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.036 176.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -63.32 -39.4 94.45 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 120.396 0.141 . . . . 0.0 111.068 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -58.89 -45.92 89.09 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 171.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.6 t60 -60.65 -41.43 94.96 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.74 -38.44 64.38 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.886 -0.143 . . . . 0.0 111.162 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -57.67 -33.25 68.14 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 122.429 -0.17 . . . . 0.0 111.138 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -62.69 -38.13 89.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.466 0.175 . . . . 0.0 111.106 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -81.2 -39.85 24.77 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.9 p -80.01 -21.82 43.15 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.28 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.76 10.62 86.03 Favored Glycine 0 CA--C 1.54 1.63 0 C-N-CA 121.489 -0.386 . . . . 0.0 112.313 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 66' ' ' PRO . 51.9 t -70.42 102.28 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.939 0.4 . . . . 0.0 110.799 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -119.75 81.05 25.04 Favored Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 64' ' ' VAL . 84.9 Cg_endo -81.22 -19.58 7.87 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.701 2.267 . . . . 0.0 113.042 -171.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.645 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.5 m-85 -80.08 75.22 6.84 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.685 0.278 . . . . 0.0 110.545 -178.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -91.12 129.81 37.08 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.941 0.4 . . . . 0.0 111.298 -176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.71 129.35 39.48 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.754 173.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -90.49 -5.21 56.31 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.054 176.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -48.89 12.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 174.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 24.3 p -108.32 -104.38 0.36 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.129 171.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -163.0 6.39 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.835 175.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -62.12 120.04 10.11 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.661 -170.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -97.87 122.55 41.12 Favored 'General case' 0 C--N 1.34 0.155 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -114.55 157.39 23.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 p -106.21 0.81 25.56 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.005 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -137.64 129.12 28.15 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.636 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 p -62.29 -26.99 68.71 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.284 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.76 -36.01 79.74 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.632 0.253 . . . . 0.0 111.132 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.644 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 66.0 m170 -76.81 -37.79 55.08 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.669 175.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.35 0.119 . . . . 0.0 110.716 176.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.92 -40.07 94.21 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.692 0.282 . . . . 0.0 110.625 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.0 m -61.77 -49.7 75.32 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.571 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -65.11 -34.73 79.09 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.044 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.4 m -57.72 -41.58 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.434 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -71.8 -22.87 61.51 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.791 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -30.1 71.05 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.79 -0.186 . . . . 0.0 110.775 170.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -89.59 -18.67 26.12 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.561 0.219 . . . . 0.0 110.809 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -95.41 -6.14 41.57 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.163 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.8 2.03 34.95 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.794 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -70.56 105.68 3.2 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.903 0.383 . . . . 0.0 111.032 -174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -121.84 85.71 45.19 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.06 -9.21 7.5 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.707 2.271 . . . . 0.0 113.347 -173.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.2 m-85 -90.44 79.14 6.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 t -78.73 145.98 34.15 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.678 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.424 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 10.3 t -70.29 161.26 30.7 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 171.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -127.54 8.05 6.4 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -67.32 148.37 98.74 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.696 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.68 33.36 0.37 Allowed 'Trans proline' 0 CA--C 1.552 1.395 0 C-N-CA 123.216 2.611 . . . . 0.0 113.131 -172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.4 p -164.47 7.94 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.389 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 17.7 t -101.62 171.52 7.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.423 0.63 . . . . 0.0 111.639 -171.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.473 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.93 22.7 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.041 -178.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -102.61 146.96 27.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.589 -173.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -128.56 149.58 50.56 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.008 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.82 162.24 27.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.667 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.58 -3.0 40.48 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -134.02 141.54 47.27 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.831 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 17.9 p -57.19 -48.49 78.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.431 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -64.02 -33.5 75.89 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.665 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.69 -44.34 96.67 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 172.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.0 tp -65.61 -39.39 91.46 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.991 175.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.28 -45.07 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.28 -46.69 87.65 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.526 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -54.45 -50.02 68.69 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.51 0.195 . . . . 0.0 110.75 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -56.69 -38.63 72.53 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.886 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -17.96 63.89 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.109 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -107.04 3.42 25.9 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 122.411 0.284 . . . . 0.0 110.979 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.343 0.322 0 CA-C-O 120.682 0.277 . . . . 0.0 111.051 -172.249 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.22 0 C3'-C2'-C1' 98.971 -2.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 O4'-C4'-C3' 109.128 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.663 4.661 2 C3'-C2'-C1' 94.944 -5.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.816 1 P-O3'-C3' 124.576 4.063 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.644 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 2 C5'--C4' 1.57 7.414 1 O4'-C1'-C2' 93.663 -11.307 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.544 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C2'--C1' 1.49 -2.23 0 O4'-C1'-C2' 101.708 -3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 0 O4'-C1'-C2' 102.161 -3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.56 3.154 0 P-O3'-C3' 121.913 1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.892 2 O4'-C4'-C3' 110.469 4.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.601 2 O3'-P-O5' 92.608 -5.996 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.42 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.407 -3.519 1 O3'-P-O5' 89.657 -7.549 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.42 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.559 2 O4'-C1'-C2' 101.29 -4.373 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 6.023 1 P-O3'-C3' 125.514 4.845 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.759 0 O4'-C4'-C3' 109.432 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.525 1 O5'-C5'-C4' 116.105 4.218 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.645 3.132 2 P-O3'-C3' 125.129 4.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.343 2 P-O3'-C3' 127.674 6.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.134 0 O4'-C4'-C3' 109.443 3.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.492 0 P-O3'-C3' 124.12 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.471 H2'' " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 1 C3'--C2' 1.561 4.253 2 O4'-C4'-C3' 112.168 6.568 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.471 " H5'" H2'' ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O3' 1.651 3.626 0 O4'-C4'-C3' 109.491 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 2 O4'-C4'-C3' 111.351 5.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.32 1 P-O3'-C3' 126.275 5.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.567 7.005 0 O3'-P-O5' 96.814 -3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.073 3 O4'-C4'-C3' 110.75 5.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.303 0 O4'-C4'-C3' 107.938 2.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.563 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.66 2 O4'-C4'-C3' 112.266 6.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.563 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O3' 1.633 2.152 0 O4'-C4'-C3' 108.651 3.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -61.03 -24.53 66.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.659 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.71 -9.03 59.55 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.72 10.58 5.13 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -177.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -66.72 161.99 55.63 Favored Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.18 124.04 10.92 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.138 1.892 . . . . 0.0 112.077 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 92.1 m-85 -111.57 160.83 16.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.394 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.6 mtp -136.4 157.0 47.83 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.748 0.308 . . . . 0.0 110.296 169.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.0 t -76.63 151.85 36.06 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.148 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.53 -1.22 38.87 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.673 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.42 125.43 82.99 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-O 120.423 0.154 . . . . 0.0 110.743 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.89 -26.34 57.36 Favored 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 122.802 2.335 . . . . 0.0 113.484 -177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.64 1.45 85.59 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.649 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.1 t -133.09 -80.89 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.43 0.292 . . . . 0.0 110.608 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 51.76 32.21 9.19 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.313 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.86 168.5 16.04 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.378 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 159.12 15.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.317 0.579 . . . . 0.0 111.621 -172.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.722 ' CD2' HD23 ' A' ' 24' ' ' LEU . 71.2 m-85 -142.79 170.15 16.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.973 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -121.63 -46.36 2.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.301 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -91.9 117.62 29.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.416 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.0 pt? -50.66 -41.89 55.96 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.043 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 p -68.08 -45.91 72.48 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.638 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -30.85 71.9 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.569 0.223 . . . . 0.0 110.426 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.722 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.12 -39.75 65.51 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 169.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -58.07 -39.29 78.14 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.41 81.45 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.763 174.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -57.94 -37.47 74.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.724 0.297 . . . . 0.0 110.584 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.0 p -59.08 -34.68 72.26 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.746 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -55.44 -38.38 68.94 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.525 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -56.25 -43.97 79.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 44.5 m-70 -76.31 -21.3 56.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.678 -172.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.2 p -57.14 -26.85 61.22 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.465 0.174 . . . . 0.0 111.021 176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.22 11.24 58.49 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.685 -0.293 . . . . 0.0 112.477 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -121.58 2.99 10.18 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.365 0.266 . . . . 0.0 111.415 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -69.81 112.88 13.74 Favored Pre-proline 0 CA--C 1.549 0.916 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -75.96 120.29 5.7 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.497 ' HB3' HD22 ' A' ' 54' ' ' LEU . 86.6 m-85 -127.4 158.42 37.37 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 170.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -132.6 157.72 44.05 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.735 0.303 . . . . 0.0 110.698 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.47 148.79 35.18 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.023 175.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -91.13 -15.09 29.98 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.568 -176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' A' ' 61' ' ' HIS . 3.6 m-85 -67.98 126.34 29.16 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.592 0.234 . . . . 0.0 110.404 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.68 66.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.088 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.71 -5.5 56.96 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.307 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 45.4 t -104.68 -77.37 0.58 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.637 0.256 . . . . 0.0 110.578 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 51.01 34.13 10.18 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 122.854 0.461 . . . . 0.0 111.71 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.69 169.57 11.55 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 170.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.44 150.4 51.68 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 111.046 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -135.45 161.35 35.7 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.284 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 p -107.42 4.94 26.81 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.566 -174.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.98 147.96 27.8 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.984 0.421 . . . . 0.0 110.875 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -42.55 77.37 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.489 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -63.06 -39.77 95.72 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.31 -49.42 77.11 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 37' ' ' TYR . 48.0 tp -63.49 -40.45 97.11 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.024 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -65.62 -44.16 87.36 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.494 0.318 . . . . 0.0 111.282 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -61.64 -43.32 99.07 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 173.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.65 -36.4 78.59 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.242 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -53.08 -33.53 52.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.284 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -54.94 -33.12 61.93 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 120.421 0.153 . . . . 0.0 110.626 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -62.61 -33.63 75.4 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.496 0.318 . . . . 0.0 111.658 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.49 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.7 m80 -82.83 -44.07 15.91 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.859 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.5 p -81.25 -22.95 38.35 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.418 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.1 0.55 28.73 Favored Glycine 0 CA--C 1.542 1.754 0 C-N-CA 121.539 -0.362 . . . . 0.0 112.305 -175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.24 127.3 30.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.538 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -124.37 87.17 54.25 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.928 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.52 -16.87 9.07 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.522 2.148 . . . . 0.0 112.972 -170.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.598 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.4 m-85 -90.0 90.39 8.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.576 0.226 . . . . 0.0 110.414 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.33 141.44 28.76 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.65 146.17 55.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.255 173.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -79.25 -14.95 58.71 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -75.0 0.58 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -172.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -83.4 -6.63 59.52 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.615 0.245 . . . . 0.0 111.35 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 65.05 16.09 10.37 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 122.738 0.415 . . . . 0.0 111.374 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -68.86 141.33 55.12 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -99.23 139.92 34.16 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.061 -173.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -130.49 155.07 47.08 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.12 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 p -98.17 -8.95 26.53 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.627 -174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -135.21 137.02 42.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.5 p -61.96 -31.53 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.166 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -66.84 -36.47 82.4 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.164 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.543 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.8 m170 -77.04 -34.75 57.24 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.893 176.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -65.6 -47.72 74.75 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.569 0.223 . . . . 0.0 110.535 174.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.56 -34.34 76.76 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.541 0.21 . . . . 0.0 110.539 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -66.53 -49.48 66.37 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.754 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -65.55 -29.89 70.57 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.007 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -54.33 -41.27 68.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.492 174.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.99 -26.69 68.37 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.114 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -65.28 -37.2 86.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.482 0.182 . . . . 0.0 110.806 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -84.76 -20.36 31.18 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.805 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.8 -6.12 52.29 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.194 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.38 18.35 55.38 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 121.41 -0.424 . . . . 0.0 112.358 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.88 104.96 15.29 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -122.87 81.43 49.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.47 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.61 -20.98 4.44 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.663 2.242 . . . . 0.0 112.924 -175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -78.66 77.44 5.14 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.028 0.442 . . . . 0.0 110.725 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 m -80.36 146.04 31.73 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.629 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.3 t -71.75 161.25 31.26 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.146 0.498 . . . . 0.0 110.927 175.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.26 0.29 10.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.982 -178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -65.08 156.3 81.2 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 120.915 0.388 . . . . 0.0 111.006 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.02 122.95 11.96 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 -176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t 66.35 19.02 10.98 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.909 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.9 t -86.37 170.63 11.84 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 110.827 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -164.6 21.86 0.06 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.459 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -89.34 139.92 30.02 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 110.332 -175.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -128.55 148.57 50.77 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -134.29 159.07 42.12 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.905 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.56 -2.04 45.8 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -132.22 141.13 48.93 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.147 0.499 . . . . 0.0 110.847 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.5 p -57.26 -47.58 81.03 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.659 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.02 -33.62 76.22 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.409 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -60.65 -41.44 95.0 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 173.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.9 tp -67.26 -41.07 86.17 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.922 175.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.19 -43.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-O 120.793 0.33 . . . . 0.0 110.156 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -62.57 -46.62 87.49 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -54.49 -50.09 68.6 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -56.6 -39.18 73.13 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.847 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -15.59 63.24 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.518 0.199 . . . . 0.0 111.174 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.8 mtt -111.89 4.76 18.5 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.417 0.287 . . . . 0.0 110.915 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.709 0.29 . . . . 0.0 110.977 -173.162 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.919 0 C5'-C4'-C3' 110.859 -2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 C4'-C3'-C2' 105.824 2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.558 3.984 0 C3'-C2'-C1' 97.27 -3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 128' ' ' ' DG' . . . . . . . . 2 P--O5' 1.669 7.649 0 C1'-O4'-C4' 114.368 3.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.482 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 2 O4'--C4' 1.378 -6.158 1 C3'-C2'-C1' 94.289 -6.008 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.543 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 2 C5'--C4' 1.56 6.143 3 C3'-C2'-C1' 93.217 -6.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.3 3 O4'-C4'-C3' 116.083 10.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.733 2 C4'-C3'-C2' 98.559 -4.641 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.398 -2.64 1 O4'-C4'-C3' 110.383 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.544 0 C5'-C4'-C3' 108.885 -3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.363 -5.203 5 O4'-C4'-C3' 112.157 6.557 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.136 0 C4'-C3'-C2' 99.701 -3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.855 0 P-O3'-C3' 123.283 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.039 1 P-O3'-C3' 124.73 4.192 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O5'-C5'-C4' 113.642 2.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.567 1 P-O3'-C3' 125.675 4.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.399 1 P-O3'-C3' 125.865 5.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.533 1 O4'-C4'-C3' 109.993 4.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.131 0 C5'-C4'-O4' 103.727 -3.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 1 O4'-C4'-C3' 109.802 4.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.441 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.497 -2.099 2 O4'-C4'-C3' 110.739 5.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.441 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.72 0 O5'-C5'-C4' 114.584 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 1 O3'-P-O5' 96.118 -4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.719 1 O4'-C1'-C2' 100.738 -4.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C4'-C3' 109.044 3.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 P-O3'-C3' 124.331 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.527 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.111 1 O4'-C4'-C3' 110.246 4.646 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.527 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.617 2.43 1 O4'-C4'-C3' 110.103 4.503 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 120.692 0.282 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -158.45 12.67 0.18 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.335 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -82.07 -8.84 59.68 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.692 0.282 . . . . 0.0 110.937 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -137.04 -172.71 3.26 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.971 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -128.3 66.3 72.76 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.44 -45.23 41.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 122.0 1.8 . . . . 0.0 110.967 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -131.91 168.41 17.92 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.852 169.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -136.39 158.65 43.92 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.8 t -108.65 135.82 49.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.975 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.68 59.53 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.705 -174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 36.5 t80 -72.71 126.7 90.58 Favored Pre-proline 0 CA--C 1.554 1.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.689 -176.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.46 -12.17 31.12 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 122.722 2.281 . . . . 0.0 113.203 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.48 -5.55 61.68 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 121.442 -0.408 . . . . 0.0 112.413 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 48.9 t -89.12 175.62 7.31 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.164 0.506 . . . . 0.0 111.264 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -72.47 -24.15 61.14 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.44 169.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt 72.47 20.69 3.88 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.521 0.728 . . . . 0.0 111.34 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -139.04 141.02 38.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.105 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.757 ' CD2' HD23 ' A' ' 24' ' ' LEU . 34.9 m-85 -144.96 170.1 16.81 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.974 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -113.36 -33.89 5.79 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.514 -175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 74.2 mmtt -112.48 131.17 55.71 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.725 0.297 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.766 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.47 -51.83 51.71 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.981 178.577 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.713 ' H ' HD22 ' A' ' 21' ' ' LEU . 20.7 p -68.11 -45.99 72.16 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.753 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.534 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.37 -30.11 71.3 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -177.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.29 -42.33 62.55 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.119 169.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -58.01 -39.01 77.26 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.637 0.256 . . . . 0.0 110.407 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -44.34 76.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.839 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 20.2 t60 -57.91 -38.65 76.24 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.816 0.341 . . . . 0.0 110.955 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -58.9 -34.4 71.64 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.614 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -38.05 64.06 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -178.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -56.07 -47.43 77.98 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.63 0.252 . . . . 0.0 110.92 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 33.9 m-70 -68.73 -20.93 64.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -172.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -59.05 -14.98 11.29 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 120.603 0.24 . . . . 0.0 111.108 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.95 6.64 54.35 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 121.571 -0.347 . . . . 0.0 112.377 174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -133.21 6.65 3.88 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -109.44 86.49 4.39 Favored Pre-proline 0 N--CA 1.486 1.357 0 CA-C-O 120.605 0.241 . . . . 0.0 110.75 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.59 92.12 1.16 Allowed 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.547 2.164 . . . . 0.0 113.188 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HD22 ' A' ' 54' ' ' LEU . 92.5 m-85 -68.6 172.48 6.17 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 168.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.43 155.65 48.12 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.627 0.251 . . . . 0.0 110.496 174.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.77 143.6 46.6 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -86.6 -8.51 57.43 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -68.6 122.7 19.04 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.859 0.362 . . . . 0.0 110.427 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -63.72 -9.41 14.14 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -169.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.7 7.67 12.59 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 122.163 0.185 . . . . 0.0 111.382 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 43.2 t -101.37 172.95 6.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.096 0.474 . . . . 0.0 111.006 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -153.1 28.8 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -92.61 161.22 14.67 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 120.916 0.389 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -142.64 145.51 33.55 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.787 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 61.4 m-85 -137.0 139.57 41.53 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.033 -170.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -74.58 -19.18 60.42 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -174.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -129.8 152.98 48.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.039 0.447 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 p -62.59 -28.8 70.14 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.703 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -67.57 -42.9 81.84 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 120.703 0.287 . . . . 0.0 111.119 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.48 -44.73 90.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.361 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.6 tp -62.19 -43.74 98.16 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.826 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.48 -45.2 94.1 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.845 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -56.55 -47.5 79.34 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 t60 -60.55 -41.78 95.24 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -177.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -53.33 -38.71 63.47 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.981 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -56.87 -33.41 66.8 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.225 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -31.56 70.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.53 -43.26 18.99 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.493 0.187 . . . . 0.0 111.137 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -84.76 -5.89 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -175.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.0 10.21 67.93 Favored Glycine 0 CA--C 1.545 1.924 0 C-N-CA 121.669 -0.3 . . . . 0.0 112.981 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.54 114.05 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-O 120.824 0.345 . . . . 0.0 110.797 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -116.88 87.68 23.03 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.194 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -87.59 -19.26 2.32 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.646 2.231 . . . . 0.0 113.169 -171.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.673 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.5 m-85 -82.6 98.96 9.27 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -97.99 135.0 40.32 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.3 t -64.8 132.7 50.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.381 173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -69.73 -18.44 63.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.88 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.34 -73.53 0.56 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.93 -5.33 58.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 66.02 17.63 10.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.748 0.419 . . . . 0.0 111.489 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -72.4 146.32 47.08 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -109.64 138.74 45.56 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.099 0.476 . . . . 0.0 111.223 -174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -129.56 160.63 32.65 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.181 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 p -103.73 -0.73 29.02 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.529 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -138.73 139.4 38.35 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-O 120.863 0.363 . . . . 0.0 110.712 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 p -66.41 -36.14 82.07 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.17 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -67.16 -35.24 79.27 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.6 m-70 -68.59 -45.4 72.09 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.566 173.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.0 tt -63.62 -47.61 80.69 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.818 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -60.97 -39.5 89.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.699 0.285 . . . . 0.0 110.571 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 m -64.72 -49.88 69.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.65 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -63.08 -38.98 93.32 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.862 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.4 m -54.34 -41.66 69.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -68.43 -22.9 64.57 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.303 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 p -59.43 -32.39 70.16 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.334 0.111 . . . . 0.0 110.797 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -78.44 -18.7 54.55 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.564 0.221 . . . . 0.0 110.944 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.0 p -96.3 -6.25 38.26 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.485 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.92 40.72 Favored Glycine 0 CA--C 1.554 2.522 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.857 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.41 103.9 2.57 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.809 0.338 . . . . 0.0 111.057 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -121.1 83.69 38.73 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.573 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -85.51 -15.8 5.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.72 2.28 . . . . 0.0 112.988 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -83.59 78.32 9.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.927 0.394 . . . . 0.0 110.741 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.8 p -78.79 138.24 38.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.765 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.6 t -70.44 133.11 46.54 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.41 -0.7 57.67 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.522 -175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -67.72 122.42 83.43 Favored Pre-proline 0 CA--C 1.557 1.221 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -53.08 -50.91 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.75 2.3 . . . . 0.0 112.735 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.6 p -79.99 53.53 1.72 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.906 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 104' ' ' LYS . 5.0 t -168.25 -80.21 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.776 -178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 52.99 39.61 29.71 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.43 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -74.18 168.89 18.68 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 172.135 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -128.81 142.36 51.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.717 0.294 . . . . 0.0 110.918 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.03 157.82 40.63 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.37 -1.86 43.57 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.271 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -134.86 142.27 46.57 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.182 0.515 . . . . 0.0 110.942 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.8 p -57.27 -46.48 83.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.64 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -66.38 -33.58 76.03 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.559 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -60.63 -44.39 96.41 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 97' ' ' CYS . 63.4 tp -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.97 174.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.24 -46.39 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.41 -46.75 88.84 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.513 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -54.74 -49.28 71.18 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.42 -37.77 73.3 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.065 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -72.23 -15.7 61.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.492 0.187 . . . . 0.0 111.124 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.1 mtp -102.01 -1.67 31.28 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.019 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.599 0.238 . . . . 0.0 111.146 -171.331 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.63 0 O4'-C4'-C3' 108.804 3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 P-O3'-C3' 122.422 2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.543 0 C4'-C3'-C2' 99.862 -3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.274 1 O4'-C4'-C3' 110.205 4.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.468 0 C2'-C3'-O3' 101.431 -3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.547 4.458 0 O3'-P-O5' 97.753 -3.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.25 2 O4'-C4'-C3' 110.172 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 109.471 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.616 0 O3'-P-O5' 99.116 -2.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.4 -2.423 2 O4'-C4'-C3' 110.084 4.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 2 C5'-C4'-C3' 107.559 -4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.463 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.548 4.606 1 O4'-C1'-C2' 100.451 -5.136 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . 0.463 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 1 P--O5' 1.642 4.921 0 O5'-C5'-C4' 114.963 3.402 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.937 0 C5'-C4'-C3' 109.067 -3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.381 0 O5'-C5'-C4' 114.665 3.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.979 1 P-O3'-C3' 125.169 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 1 P-O3'-C3' 124.949 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.236 0 P-O3'-C3' 123.892 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.473 -4.452 0 O4'-C4'-C3' 108.356 2.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.593 6.451 4 C4'-C3'-C2' 94.248 -8.952 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.532 -6.111 0 O4'-C4'-C3' 109.314 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.648 3.418 1 O3'-P-O5' 94.657 -4.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 5.044 1 O4'-C4'-C3' 109.798 4.198 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.909 0 O4'-C4'-C3' 109.104 3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.418 1 O3'-P-O5' 96.24 -4.084 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 C5'-C4'-C3' 111.801 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.566 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 C5'-C4'-C3' 109.646 -3.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.566 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.985 0 O4'-C4'-C3' 108.316 2.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -154.97 11.83 0.36 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -12.56 36.18 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.03 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -139.66 177.86 7.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.624 0.369 . . . . 0.0 110.37 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -130.66 63.31 69.36 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.333 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -53.14 -39.92 78.71 Favored 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 122.558 2.172 . . . . 0.0 112.729 176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.66 154.46 47.88 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 120.708 0.289 . . . . 0.0 111.121 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.35 150.39 48.82 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 168.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -66.4 146.18 54.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.169 0.509 . . . . 0.0 111.304 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.91 -4.46 56.52 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.639 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -79.17 134.37 59.43 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.07 145.95 68.98 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.543 2.162 . . . . 0.0 112.204 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.42 -38.81 2.89 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.068 -176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 -81.37 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.679 0.276 . . . . 0.0 110.403 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.05 35.94 1.81 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.441 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.63 160.35 29.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.665 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 153.83 18.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.297 0.57 . . . . 0.0 111.63 -169.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -144.85 163.87 32.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.935 -175.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -115.95 -28.41 6.66 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.396 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 7.8 mmpt? -113.01 124.77 53.4 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.675 0.274 . . . . 0.0 110.666 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -49.14 -49.22 43.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.902 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.2 p -67.85 -45.79 73.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.715 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.0 -31.28 72.38 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.667 0.27 . . . . 0.0 110.481 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.11 -40.76 64.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.028 170.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.29 -38.61 77.37 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -43.54 89.11 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.691 173.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -58.05 -39.33 78.16 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 122.288 -0.258 . . . . 0.0 110.672 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.6 p -59.24 -34.62 72.44 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.534 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -38.24 69.03 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.2 -39.24 72.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.52 0.2 . . . . 0.0 111.048 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -68.35 -21.08 64.75 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.5 p -61.29 -10.47 7.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.044 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.51 12.17 36.02 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 174.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -122.17 -50.19 2.03 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.805 0.303 . . . . 0.0 111.706 -174.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -46.65 112.47 1.89 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 123.119 0.262 . . . . 0.0 111.572 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.89 81.91 2.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.825 2.35 . . . . 0.0 112.713 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.583 ' HB3' HD22 ' A' ' 54' ' ' LEU . 9.6 m-85 -87.63 93.07 9.32 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.581 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.52 144.4 26.06 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.747 0.308 . . . . 0.0 110.727 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.47 145.43 56.11 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.703 174.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -73.77 -21.49 60.17 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.697 -174.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 13.9 m-85 -70.12 129.89 40.63 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.775 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -72.45 -12.22 61.0 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.37 -10.81 39.81 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.025 172.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -93.49 -72.95 0.58 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 120.745 0.307 . . . . 0.0 110.433 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 57.31 16.2 3.0 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 123.0 0.52 . . . . 0.0 111.986 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -84.87 146.28 27.38 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.06 148.24 43.82 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.274 0.559 . . . . 0.0 111.46 -177.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 43.5 m-85 -127.44 164.67 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.723 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -98.53 -7.62 27.99 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -173.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -138.98 154.35 48.27 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.942 0.401 . . . . 0.0 111.108 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.7 p -61.02 -39.94 91.68 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.139 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -68.48 -34.04 75.24 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.156 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -70.37 -45.29 66.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.515 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -60.64 -47.5 85.96 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.589 171.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -60.95 -41.65 96.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.105 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -60.37 -47.79 84.55 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 17.8 t60 -60.78 -40.97 94.61 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.076 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.03 -37.01 61.17 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' NH2' ' H ' ' A' ' 64' ' ' VAL . 68.2 mtp85 -55.08 -33.03 62.41 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -55.77 -31.7 62.82 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 120.478 0.18 . . . . 0.0 110.849 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 79.9 m-70 -98.03 -33.06 11.32 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.357 176.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.3 t -148.0 61.5 1.12 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 111.182 -169.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.35 -177.09 33.15 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.116 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.431 ' H ' ' NH2' ' A' ' 59' ' ' ARG . 26.9 m -132.19 -168.85 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 122.444 0.298 . . . . 0.0 110.542 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -114.87 83.18 9.06 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.718 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.5 -20.56 5.72 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.858 2.372 . . . . 0.0 113.115 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.551 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.5 m-85 -78.47 88.98 4.43 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -99.79 135.14 41.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.777 0.322 . . . . 0.0 111.001 -176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.75 131.1 45.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.473 172.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -69.82 -17.24 63.38 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.939 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -75.26 0.47 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 122.558 0.343 . . . . 0.0 111.03 -175.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.8 p -90.79 -5.46 55.61 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.223 0.209 . . . . 0.0 111.489 -173.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 68.09 20.7 8.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.849 0.459 . . . . 0.0 111.422 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -62.29 140.73 58.5 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 169.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -113.13 140.97 47.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 110.823 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -136.81 158.19 45.02 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.389 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 p -107.79 3.0 24.0 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.02 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -138.81 134.31 33.24 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 110.412 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -68.92 -31.83 71.02 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.238 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -66.09 -36.26 82.71 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-O 120.466 0.174 . . . . 0.0 110.83 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.0 m-70 -67.98 -45.3 74.54 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.67 172.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.0 tt -63.13 -47.69 81.67 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.505 0.193 . . . . 0.0 110.82 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.92 -34.42 77.42 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.637 0.256 . . . . 0.0 110.636 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 m -67.77 -49.59 61.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.738 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -61.67 -34.06 75.07 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.871 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.3 m -54.27 -41.13 68.5 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -62.03 -22.77 65.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.162 -176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 m -54.5 -37.36 65.22 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 120.66 0.267 . . . . 0.0 110.878 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -89.54 -24.31 21.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.32 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -91.63 -6.42 52.25 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.4 8.8 52.86 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.694 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.01 98.14 1.25 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.977 0.389 . . . . 0.0 110.808 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -119.93 78.51 23.93 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -83.54 -14.32 8.0 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.751 2.3 . . . . 0.0 113.14 -173.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -85.05 76.65 10.23 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.853 0.359 . . . . 0.0 110.652 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 48.7 p -84.18 146.0 28.07 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.859 177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.39 161.35 30.64 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.275 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.52 1.47 10.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.182 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -67.63 156.16 89.56 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 120.813 0.34 . . . . 0.0 110.938 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.95 125.44 17.18 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.737 2.292 . . . . 0.0 112.359 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.8 t 62.94 20.93 12.57 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.058 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -118.84 157.14 28.19 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.365 0.602 . . . . 0.0 111.191 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -162.17 29.95 0.12 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.95 169.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -63.91 136.2 57.16 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 29.5 mtmt -112.08 147.99 34.86 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 111.56 -169.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -134.19 160.83 36.64 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.537 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.92 3.15 44.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -136.11 140.87 44.03 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.119 0.485 . . . . 0.0 110.792 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.8 p -57.14 -49.92 74.43 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.503 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.21 -33.66 75.96 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.73 -43.77 97.49 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -66.23 -40.03 89.99 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.031 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.21 -44.27 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.35 -46.66 87.66 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.645 176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -54.38 -49.43 69.87 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.656 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -56.82 -39.57 74.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -72.05 -15.56 62.03 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.506 0.193 . . . . 0.0 111.233 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -107.03 5.91 28.5 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.857 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.369 0 CA-C-O 120.72 0.295 . . . . 0.0 111.074 -173.025 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . 0.4 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 1 P--O5' 1.639 4.613 0 C5'-C4'-C3' 108.866 -3.889 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . 0.4 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.137 0 O4'-C1'-C2' 103.666 -2.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 C3'-C2'-C1' 97.429 -3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 C5'-C4'-C3' 108.947 -3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 O3'-P-O5' 99.501 -2.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.45 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.869 0 O4'-C4'-C3' 108.478 2.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 P-O3'-C3' 123.276 2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 1 C4'-C3'-C2' 99.005 -4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.846 2 O4'-C4'-C3' 112.35 6.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.511 0 O4'-C1'-C2' 102.822 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.428 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.556 5.652 4 O5'-C5'-C4' 118.523 5.945 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.428 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 3 C5'--C4' 1.573 7.788 1 P-O3'-C3' 114.61 -4.241 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.37 -4.654 2 P-O3'-C3' 129.252 7.96 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.648 5.458 1 O3'-P-O5' 95.694 -4.371 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 0 C5'-C4'-O4' 105.381 -2.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.568 3.987 1 P-O3'-C3' 125.404 4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.152 1 O5'-C5'-C4' 118.535 5.953 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 1 O4'-C4'-C3' 110.081 4.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . 0.411 " H1'" " H5'" ' C' ' 143' ' ' ' DG' . . . . . . . . 1 P--O5' 1.641 4.776 0 C4'-C3'-C2' 99.837 -3.363 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.444 H2'' " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 1 P--O5' 1.634 4.139 1 O4'-C4'-C3' 110.626 5.026 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.444 " H5'" H2'' ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O5' 1.62 2.746 3 O4'-C4'-C3' 110.546 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.853 0 O3'-P-O5' 98.551 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.987 1 P-O3'-C3' 124.611 4.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.114 1 O4'-C4'-C3' 110.095 4.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.823 1 O3'-P-O5' 95.993 -4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 1 O4'-C4'-C3' 109.962 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.581 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.626 1 O4'-C4'-C3' 110.06 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.581 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.424 -2.012 1 O4'-C4'-C3' 109.983 4.383 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 CA-C-O 120.518 0.199 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -78.64 71.79 5.12 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.87 0.367 . . . . 0.0 110.995 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -159.41 162.65 35.79 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.974 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -51.67 -54.67 25.5 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.616 0.246 . . . . 0.0 110.577 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.19 90.25 2.47 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.332 172.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.48 -100.69 0.0 OUTLIER 'Trans proline' 0 CA--C 1.553 1.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.687 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -127.4 155.9 42.9 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.708 0.289 . . . . 0.0 110.778 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -136.43 156.76 48.16 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.62 143.86 53.13 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.3 -4.82 56.89 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.78 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 63.4 t80 -79.09 118.27 71.51 Favored Pre-proline 0 N--CA 1.478 0.972 0 O-C-N 122.392 -0.192 . . . . 0.0 110.649 -179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.47 101.88 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.624 2.216 . . . . 0.0 111.973 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.02 -38.02 1.83 Allowed Glycine 0 N--CA 1.468 0.782 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.61 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.7 t -85.91 -81.89 0.2 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.0 m120 50.64 31.84 6.22 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.19 169.44 18.32 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.103 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -98.64 151.92 20.18 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.26 0.552 . . . . 0.0 111.537 -171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.72 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.5 m-85 -137.24 166.47 23.69 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.736 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.91 -41.33 2.91 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.212 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.0 OUTLIER -94.26 118.71 31.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.501 178.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.79 -46.13 20.44 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.824 0.345 . . . . 0.0 110.817 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -67.9 -46.01 72.81 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.688 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.84 -29.49 70.45 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.565 0.222 . . . . 0.0 110.575 -178.053 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.13 -39.57 65.62 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.96 169.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -40.83 82.32 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 tpt -61.38 -48.22 82.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.776 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -58.04 -38.57 76.5 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.682 0.277 . . . . 0.0 110.823 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 p -59.01 -32.48 69.75 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.533 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -38.2 68.11 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.398 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.2 -45.74 79.71 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.576 0.227 . . . . 0.0 110.815 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.3 m-70 -76.26 -21.28 56.51 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -172.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.6 p -55.71 -24.53 35.09 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 120.498 0.19 . . . . 0.0 111.086 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.72 18.08 35.2 Favored Glycine 0 CA--C 1.541 1.69 0 CA-C-N 116.538 -0.301 . . . . 0.0 112.402 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -124.94 5.05 8.01 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.788 0.294 . . . . 0.0 111.381 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.37 107.45 23.69 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.59 137.05 22.17 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.398 2.066 . . . . 0.0 113.162 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' HB3' HD22 ' A' ' 54' ' ' LEU . 71.6 m-85 -129.25 165.12 22.03 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.51 150.15 52.2 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -63.55 143.91 57.44 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.886 0.374 . . . . 0.0 110.667 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -99.66 -2.55 35.18 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.0 131.16 49.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.89 0.376 . . . . 0.0 110.3 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -72.0 4.17 3.7 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.204 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -132.4 12.29 4.55 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 122.167 0.187 . . . . 0.0 111.108 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 46.3 t -103.08 173.85 6.12 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.108 0.48 . . . . 0.0 110.815 177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -160.49 28.91 0.16 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.52 -178.074 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 152.66 25.51 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 121.157 0.503 . . . . 0.0 110.802 -173.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.05 148.01 49.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.751 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.2 m-85 -126.64 164.81 20.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.146 -173.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 t -108.97 7.25 25.82 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.453 -175.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -153.01 149.78 28.53 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.801 0.334 . . . . 0.0 110.494 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.7 p -58.68 -41.21 85.65 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.719 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.99 -39.01 93.16 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.144 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -61.4 -49.32 77.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.64 0.257 . . . . 0.0 110.374 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.7 tp -62.12 -45.4 93.65 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.96 177.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -60.97 -40.55 93.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.165 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -68.22 -41.2 81.61 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.563 0.22 . . . . 0.0 110.487 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 46.0 t60 -60.71 -37.78 82.84 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.916 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -53.34 -34.71 58.61 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.344 0.257 . . . . 0.0 111.334 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -55.06 -33.22 62.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.564 0.221 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -60.36 -31.9 70.78 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.584 0.354 . . . . 0.0 111.664 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -97.81 -36.45 10.19 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.604 0.24 . . . . 0.0 111.244 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.0 p -79.16 -31.3 43.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.142 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.08 -1.27 60.21 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 121.715 -0.278 . . . . 0.0 112.843 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.34 137.28 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-O 121.03 0.443 . . . . 0.0 110.958 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -131.05 81.48 66.56 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.344 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -79.17 -16.35 12.36 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.596 2.197 . . . . 0.0 113.279 -173.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -90.11 97.83 11.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.51 137.25 41.0 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.127 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.9 t -65.01 138.7 58.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 174.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.81 -19.7 62.65 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -99.09 -75.38 0.56 Allowed 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.318 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.5 p -80.16 -7.37 58.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.492 0.317 . . . . 0.0 111.359 -175.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 64.25 21.25 12.47 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.406 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -71.97 141.14 49.4 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.1 142.18 40.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.061 0.458 . . . . 0.0 111.182 -173.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.02 163.53 29.03 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 m -109.13 1.9 20.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.64 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -138.83 132.9 31.29 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.833 0.349 . . . . 0.0 110.617 177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 p -63.34 -34.0 76.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.54 -38.38 90.92 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 120.652 0.263 . . . . 0.0 111.023 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.564 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 65.8 m170 -74.97 -35.3 62.07 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.992 176.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -65.46 -47.68 75.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -61.1 -38.93 88.04 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.764 0.316 . . . . 0.0 110.469 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.2 m -64.08 -49.46 72.18 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -61.41 -36.73 81.12 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.92 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -54.36 -41.24 68.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.753 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -63.69 -22.94 67.17 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 111.47 0.174 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.1 p -60.21 -27.07 66.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 120.574 0.226 . . . . 0.0 110.729 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -93.53 -26.21 17.24 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.211 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -91.68 -6.35 52.22 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.19 10.49 41.33 Favored Glycine 0 CA--C 1.549 2.173 0 C-N-CA 121.326 -0.464 . . . . 0.0 112.518 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -70.76 100.14 1.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.005 0.431 . . . . 0.0 110.799 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.29 82.41 45.69 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.503 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -84.78 -15.51 5.87 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.734 2.29 . . . . 0.0 113.003 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -85.98 79.62 9.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.7 p -83.75 143.73 29.81 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.1 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.6 t -70.35 157.71 37.27 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.087 169.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -135.54 16.18 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.189 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -56.78 153.22 23.17 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.531 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.48 22.67 0.23 Allowed 'Trans proline' 0 CA--C 1.553 1.427 0 C-N-CA 122.934 2.422 . . . . 0.0 113.179 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -163.22 27.73 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.707 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.2 t -143.26 164.64 29.66 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.239 0.542 . . . . 0.0 111.608 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.64 27.42 0.1 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.019 170.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -73.69 154.83 39.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.165 -178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -127.54 148.22 50.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.032 0.444 . . . . 0.0 111.56 -170.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -133.41 159.09 41.36 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.583 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.3 2.14 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -135.49 141.59 45.33 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.155 0.502 . . . . 0.0 110.917 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -57.42 -49.77 75.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.625 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.7 -33.68 76.18 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.518 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.6 -43.92 96.86 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.06 -39.64 90.25 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.039 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.18 -46.43 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-O 120.738 0.304 . . . . 0.0 110.193 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.64 -46.47 88.08 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.661 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -55.8 -48.0 76.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.09 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -56.66 -33.73 66.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.535 0.207 . . . . 0.0 110.685 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -17.53 63.27 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.329 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 53.5 mtt -75.41 -19.48 59.49 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.501 0.191 . . . . 0.0 110.932 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 C--N 1.345 0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 110.455 178.106 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.687 0 C3'-C2'-C1' 97.763 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.938 0 O3'-P-O5' 97.367 -3.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.496 0 C3'-C2'-C1' 98.566 -2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.264 3 P-O3'-C3' 126.684 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 0 O4'-C4'-C3' 108.156 2.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.564 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.924 0 O4'-C4'-C3' 108.401 2.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 1 P-O3'-C3' 125.323 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.121 0 O4'-C1'-C2' 102.334 -3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.606 3 O4'-C1'-C2' 100.086 -5.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.591 10.053 0 O3'-P-O5' 97.708 -3.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.72 2 O4'-C1'-C2' 99.239 -6.237 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.442 ' H42' ' H1 ' ' C' ' 140' ' ' ' DG' . . . . . . . . 0 P--O5' 1.553 -3.983 0 C5'-C4'-C3' 109.24 -3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.354 -8.381 4 O4'-C1'-C2' 98.743 -6.689 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.642 4.915 0 O3'-P-O5' 96.696 -3.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.997 0 O5'-C5'-C4' 115.497 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.319 1 P-O3'-C3' 124.946 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . 0.442 ' H1 ' ' H42' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 O4'--C4' 1.395 -4.649 0 O4'-C4'-C3' 109.325 3.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.271 0 O3'-P-O5' 96.824 -3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C4'-C3' 109.111 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.438 H2'' " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.402 -3.955 2 C5'-C4'-C3' 106.853 -5.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.438 " H5'" H2'' ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O5' 1.619 2.578 0 C4'-C3'-C2' 99.682 -3.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C4'-C3' 108.622 3.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.709 1 O4'-C4'-C3' 109.631 4.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.412 0 C5'-C4'-C3' 108.752 -3.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 0 O4'-C4'-C3' 109.52 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 C5'-C4'-C3' 110.283 -2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.596 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O3' 1.641 2.858 0 O4'-C1'-C2' 102.169 -3.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.596 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.359 0 C3'-C2'-C1' 97.406 -3.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.827 0 CA-C-O 120.627 0.251 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -79.97 30.43 0.26 Allowed 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 122.518 0.327 . . . . 0.0 111.39 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.13 52.59 0.9 Allowed 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.962 0.411 . . . . 0.0 110.83 -172.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -72.14 -27.43 62.61 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.338 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.461 ' HB2' ' HD2' ' A' ' 6' ' ' PRO . 51.1 ptt85 -158.95 164.77 20.04 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 122.432 0.293 . . . . 0.0 110.343 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 5' ' ' ARG . 68.0 Cg_endo -69.02 149.63 71.81 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.116 1.877 . . . . 0.0 111.919 170.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 92.7 m-85 -132.37 158.68 41.31 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mtp -136.51 154.97 50.58 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 48.9 t -65.67 142.29 58.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.896 0.379 . . . . 0.0 111.192 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.94 4.16 47.28 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.725 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -69.01 123.8 88.96 Favored Pre-proline 0 CA--C 1.546 0.801 0 O-C-N 122.451 -0.155 . . . . 0.0 110.795 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.44 99.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.407 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.85 -30.98 4.25 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.035 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 34.8 t -81.06 171.27 15.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.31 0.576 . . . . 0.0 110.815 176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.4 23.68 0.05 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.275 175.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -74.89 139.03 42.84 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -175.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 -98.78 152.51 19.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.767 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 89.5 m-85 -142.04 167.75 21.37 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 -174.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -116.68 -42.46 2.98 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.794 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 58.7 mttt -90.38 119.88 31.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.504 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 40.5 tp -47.34 -43.93 23.34 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 172.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.7 p -68.09 -46.27 71.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.295 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.21 -29.28 67.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.262 -177.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.28 -38.94 65.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 169.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -58.02 -39.99 79.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 174.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -46.84 85.96 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -58.06 -39.05 77.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 120.722 0.296 . . . . 0.0 110.436 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p -59.25 -34.7 72.54 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.966 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 HH21 ' H73' ' B' ' 136' ' ' ' DT' . 32.4 mmt-85 -55.76 -38.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -39.82 73.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 120.607 0.241 . . . . 0.0 110.469 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -81.22 -22.59 38.68 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.825 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -61.69 -22.5 65.38 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.437 0.161 . . . . 0.0 110.611 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.23 18.53 38.95 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.281 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -114.18 -41.32 3.52 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.716 0.258 . . . . 0.0 111.325 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -43.45 106.7 0.51 Allowed Pre-proline 0 N--CA 1.494 1.764 0 C-N-CA 122.907 0.483 . . . . 0.0 111.568 -173.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.43 95.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.766 -174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' HB3' HD22 ' A' ' 54' ' ' LEU . 77.1 m-85 -88.99 172.26 9.26 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 170.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -129.37 152.87 48.45 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.0 170.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.7 136.24 17.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.71 -9.96 59.06 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.246 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -70.67 117.61 12.41 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.815 0.341 . . . . 0.0 110.297 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -60.32 -15.15 22.75 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -170.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -109.21 9.52 25.97 Favored 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 122.168 0.187 . . . . 0.0 111.353 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.432 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 45.8 t -108.07 156.69 18.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.15 0.5 . . . . 0.0 111.005 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -132.33 19.89 4.39 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.839 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -82.63 135.55 35.02 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.739 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -119.23 145.02 46.41 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.786 -177.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.3 m-85 -130.68 139.4 50.32 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.394 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -89.82 3.14 53.84 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.533 -175.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -144.92 143.27 30.47 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.128 0.49 . . . . 0.0 110.998 174.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -40.98 82.39 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.309 -175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -33.94 73.96 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.076 -176.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -41.47 81.71 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.567 0.222 . . . . 0.0 110.525 176.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 37' ' ' TYR . 17.1 tp -60.98 -47.52 86.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 171.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -60.42 -33.6 72.75 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.065 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.62 -44.42 70.7 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.552 172.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.66 -36.63 79.18 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.948 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -53.02 -38.2 62.17 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -55.31 -33.33 63.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.426 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.607 ' HD3' " H3'" ' B' ' 129' ' ' ' DG' . 0.0 OUTLIER -63.88 -31.8 73.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 120.385 0.136 . . . . 0.0 111.341 -179.478 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -92.8 -34.74 13.75 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.634 0.254 . . . . 0.0 111.108 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -83.1 -28.61 29.36 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.318 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.01 -5.38 41.26 Favored Glycine 0 CA--C 1.545 1.967 0 C-N-CA 121.719 -0.277 . . . . 0.0 113.056 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.43 143.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-O 121.153 0.501 . . . . 0.0 111.011 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -134.33 79.78 54.12 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.292 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.77 -21.37 11.22 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 122.714 2.276 . . . . 0.0 113.395 -171.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.63 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.6 m-85 -82.51 97.12 8.27 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -97.21 136.78 37.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.689 0.28 . . . . 0.0 111.065 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.77 136.15 56.59 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -67.32 -22.65 65.61 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.981 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.34 -76.12 0.53 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.284 -169.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 -5.36 59.2 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.511 0.196 . . . . 0.0 111.323 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 64.62 23.65 12.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.724 0.41 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -64.68 164.49 11.93 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -130.0 135.88 48.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 111.05 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -130.29 162.54 28.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.372 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 m -108.82 6.1 25.18 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -140.33 130.35 24.79 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.754 0.312 . . . . 0.0 110.463 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.6 p -67.44 -32.18 72.86 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.51 -35.93 81.47 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.874 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.2 m-70 -69.11 -44.06 73.21 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.669 173.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.3 tt -65.08 -47.63 76.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.431 0.158 . . . . 0.0 110.827 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -63.73 -34.47 77.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.626 0.25 . . . . 0.0 110.568 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.6 m -65.73 -49.47 68.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.702 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -62.26 -34.35 76.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.949 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.7 m -55.4 -41.3 72.51 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.776 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -65.52 -23.12 66.8 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.279 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 p -69.07 -30.88 69.3 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 120.448 0.166 . . . . 0.0 110.875 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -88.2 -22.72 23.86 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.669 0.271 . . . . 0.0 110.772 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.1 m -91.8 -6.0 52.49 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.064 -175.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.23 13.02 52.73 Favored Glycine 0 CA--C 1.545 1.92 0 C-N-CA 121.493 -0.384 . . . . 0.0 112.39 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -77.27 98.07 5.04 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.949 0.404 . . . . 0.0 110.702 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.53 82.56 33.09 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.475 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -85.78 -19.36 3.4 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 122.784 2.323 . . . . 0.0 112.963 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -79.45 78.79 5.95 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 110.804 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 m -82.82 145.24 29.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.409 ' HA ' HD11 ' A' ' 112' ' ' LEU . 36.8 t -70.4 144.22 51.63 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -111.43 5.25 19.5 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.145 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -59.04 146.75 76.46 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.564 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.54 48.15 2.06 Favored 'Trans proline' 0 CA--C 1.551 1.369 0 C-N-CA 123.019 2.479 . . . . 0.0 112.671 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -176.35 -22.65 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.735 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 22.4 t -86.06 171.88 11.05 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.475 0.655 . . . . 0.0 111.544 -173.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -162.02 26.74 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.133 175.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 151.52 35.59 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -128.62 147.92 50.76 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.846 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -133.08 159.57 39.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.722 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.89 0.65 46.99 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -136.88 139.62 41.76 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.76 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -58.29 -43.22 87.96 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -67.31 -33.77 75.98 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.487 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.76 -43.27 98.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.0 tp -65.3 -40.43 93.8 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.94 174.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.24 -44.71 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.25 -46.7 87.65 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.626 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -54.39 -49.32 70.16 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.66 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -57.61 -38.85 75.63 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.135 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -71.76 -15.6 62.18 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.5 mtt -106.94 4.78 27.61 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.942 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.345 0.392 0 CA-C-O 120.69 0.281 . . . . 0.0 110.956 -173.005 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.149 0 O4'-C4'-C3' 109.103 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.639 2.688 0 O4'-C4'-C3' 108.792 3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 C3'-C2'-C1' 97.079 -4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O4'-C4'-C3' 109.095 3.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.842 0 C5'-C4'-C3' 109.21 -3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.607 " H3'" ' HD3' ' A' ' 60' ' ' ARG . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 110.904 -2.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.563 1 P-O3'-C3' 126.5 5.667 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.038 0 O4'-C4'-C3' 108.784 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.963 1 P-O3'-C3' 124.59 4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.466 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 3 C5'--C4' 1.575 7.987 0 P-O3'-C3' 123.977 3.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.466 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 0 P--O5' 1.63 3.721 2 C4'-C3'-C2' 97.833 -5.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.149 2 O4'-C1'-C2' 98.829 -6.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . 0.419 ' H73' HH21 ' A' ' 29' ' ' ARG . . . . . . . . 0 C4'--C3' 1.567 3.891 0 C5'-C4'-C3' 109.261 -3.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.69 1 P-O3'-C3' 126.018 5.265 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.886 0 O4'-C1'-C2' 108.596 2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.376 1 P-O3'-C3' 124.928 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 1 P-O3'-C3' 125.381 4.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.558 0 O3'-P-O5' 99.37 -2.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.18 0 O4'-C4'-C3' 109.419 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.363 1 C4'-C3'-C2' 98.448 -4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.067 0 O4'-C4'-C3' 108.842 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.465 1 O4'-C4'-C3' 109.665 4.065 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.045 1 O4'-C1'-C2' 100.879 -4.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.966 1 O4'-C4'-C3' 110.265 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.084 1 P-O3'-C3' 124.713 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.529 1 O4'-C4'-C3' 111.144 5.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.546 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 P--O5' 1.611 1.849 0 O4'-C4'-C3' 109.454 3.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.546 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.944 0 O4'-C4'-C3' 108.538 2.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.92 0 CA-C-O 120.616 0.246 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -161.03 -177.41 6.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.782 0.325 . . . . 0.0 110.496 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.78 -16.74 62.2 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.11 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -83.64 101.65 11.66 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 110.865 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -104.93 99.57 19.78 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.039 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -67.8 -23.76 41.3 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.601 2.201 . . . . 0.0 113.849 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -108.57 159.28 16.84 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.743 0.306 . . . . 0.0 111.322 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.407 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 28.9 ptm -136.62 158.62 44.01 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.34 169.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 t -76.89 139.53 40.27 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.68 -1.95 57.85 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.761 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -76.37 128.77 81.71 Favored Pre-proline 0 CA--C 1.554 1.113 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.15 -18.66 51.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.723 2.282 . . . . 0.0 113.22 -172.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.06 -2.65 85.83 Favored Glycine 0 CA--C 1.544 1.891 0 C-N-CA 121.372 -0.442 . . . . 0.0 112.318 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.8 t -121.24 -78.23 0.59 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.511 0.325 . . . . 0.0 110.628 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.15 20.56 8.56 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.183 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.38 171.43 14.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-O 120.6 0.238 . . . . 0.0 110.529 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 19.7 mmm180 -106.46 156.68 18.3 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.168 0.509 . . . . 0.0 111.578 -170.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' CD2' HD23 ' A' ' 24' ' ' LEU . 53.6 m-85 -143.94 167.82 21.43 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.255 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.71 -44.85 3.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 76.5 tttt -97.23 122.18 39.96 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.581 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.2 tp -46.49 -47.03 19.4 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 120.658 0.265 . . . . 0.0 110.605 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -68.03 -45.94 72.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.874 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.91 -29.93 69.94 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 121.041 -0.263 . . . . 0.0 110.312 -177.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.693 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.21 -39.18 65.74 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 169.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -42.25 84.93 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.0 tpt -63.72 -43.63 95.95 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.785 175.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.03 -35.71 71.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.516 0.198 . . . . 0.0 110.761 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -59.12 -35.01 72.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.764 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -55.72 -38.17 69.38 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.628 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -44.42 79.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.626 0.251 . . . . 0.0 110.679 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -72.57 -21.27 61.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -172.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -53.55 -41.64 66.66 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 49' ' ' SER . . . -55.72 -30.77 57.05 Favored Glycine 0 CA--C 1.541 1.666 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.477 174.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -98.76 18.53 16.74 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.818 0.447 . . . . 0.0 111.506 -173.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -112.96 83.29 5.88 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-O 120.638 0.256 . . . . 0.0 110.487 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.63 88.82 1.26 Allowed 'Trans proline' 0 CA--C 1.546 1.094 0 C-N-CA 122.772 2.315 . . . . 0.0 112.799 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.656 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 -75.26 100.58 4.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.414 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 2.4 tt0 -88.01 144.86 26.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.61 148.38 42.62 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.923 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -102.94 -1.13 29.98 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.102 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -57.82 142.12 46.77 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.002 0.429 . . . . 0.0 110.717 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -12.08 43.02 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.074 -169.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -133.96 35.39 3.31 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.647 0.26 . . . . 0.0 111.029 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.0 t -133.39 164.62 26.72 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.166 0.508 . . . . 0.0 111.025 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -155.37 19.64 0.41 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.555 175.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.84 139.29 40.26 Favored 'General case' 0 C--N 1.347 0.478 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -125.25 134.75 52.19 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -178.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -118.57 139.38 51.56 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -174.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.443 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 64.7 m -83.88 42.81 0.88 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.1 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -178.42 144.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 120.948 0.404 . . . . 0.0 110.667 174.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -60.28 -44.57 95.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.965 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -65.44 -33.98 77.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.214 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' CD ' ' H41' ' B' ' 132' ' ' ' DC' . 84.3 mm-40 -68.65 -42.93 77.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.725 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' TYR . 32.2 tp -61.97 -45.02 95.5 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.549 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -62.89 -36.9 84.86 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.522 0.201 . . . . 0.0 111.106 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -64.21 -45.93 86.11 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.815 0.34 . . . . 0.0 110.149 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -60.76 -36.95 80.23 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.374 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -53.27 -33.72 54.28 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.177 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 12.5 mmp_? -55.06 -33.16 62.49 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.395 0.141 . . . . 0.0 110.777 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -60.67 -38.79 86.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.437 0.295 . . . . 0.0 111.368 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -91.12 -35.53 14.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.608 0.242 . . . . 0.0 111.169 -174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.0 p -78.39 -23.41 46.81 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.082 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.39 0.08 61.33 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 121.577 -0.344 . . . . 0.0 112.466 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 69.9 t -72.41 121.07 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.576 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -122.94 88.38 50.69 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.13 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.42 -18.17 7.2 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.537 2.158 . . . . 0.0 113.17 -170.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.541 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.0 m-85 -84.93 92.55 8.33 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.18 134.04 34.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.689 0.28 . . . . 0.0 110.833 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.8 t -64.79 129.6 40.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 171.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.38 -20.26 63.82 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -72.64 0.55 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.1 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -90.37 -2.61 57.98 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -173.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 64.21 22.02 12.72 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.654 0.381 . . . . 0.0 111.419 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -65.66 163.44 16.38 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 170.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -123.6 135.19 53.82 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.852 0.358 . . . . 0.0 110.591 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -129.22 159.33 36.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.4 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 p -103.26 -3.24 25.93 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.344 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -138.09 132.09 31.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p -63.5 -35.21 79.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.82 -35.21 80.04 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.039 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.456 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -70.2 -42.98 71.63 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.74 173.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -65.36 -47.69 75.55 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.436 0.16 . . . . 0.0 110.715 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.657 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -65.18 -49.42 69.84 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.644 0.259 . . . . 0.0 110.665 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -62.33 -33.64 75.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.028 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -55.35 -41.34 72.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.679 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -64.98 -23.13 67.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.278 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.5 p -68.69 -32.6 72.53 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 120.417 0.151 . . . . 0.0 110.789 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -85.14 -24.2 28.09 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 120.645 0.26 . . . . 0.0 110.657 175.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 m -91.76 -6.19 52.27 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.169 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.56 14.95 52.14 Favored Glycine 0 CA--C 1.547 2.037 0 C-N-CA 121.527 -0.368 . . . . 0.0 112.492 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -78.84 101.02 7.42 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.895 0.379 . . . . 0.0 110.685 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -122.02 81.84 43.44 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.03 -15.56 5.55 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.73 2.287 . . . . 0.0 113.1 -175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.44 78.53 9.8 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.9 t -78.88 146.05 33.81 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.784 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 29.5 t -70.44 161.2 30.97 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.065 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.67 3.74 5.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.899 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -62.73 145.95 95.1 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.682 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -72.3 13.24 0.55 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.918 2.412 . . . . 0.0 113.128 -174.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -143.55 17.8 1.85 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.022 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.62 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 17.0 t -130.66 171.84 12.62 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.309 0.575 . . . . 0.0 111.391 -175.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -167.09 26.58 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.271 179.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.62 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.6 mppt? -88.01 156.02 19.52 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.8 0.333 . . . . 0.0 110.626 -176.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -128.57 147.96 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -131.99 159.01 39.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.763 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.39 -0.65 45.95 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.1 141.98 46.15 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 110.808 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.0 p -57.27 -49.36 76.31 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.606 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.43 -33.6 75.9 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.421 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.73 -43.83 97.41 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 173.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.76 -41.25 92.33 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.978 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.3 t -58.23 -47.31 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -62.01 -46.72 87.98 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.675 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -57.37 -47.58 81.28 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.957 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -56.82 -33.71 67.0 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.546 0.212 . . . . 0.0 110.842 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -15.79 63.64 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.216 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 80.5 mtp -84.01 -16.16 44.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.015 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.347 0.484 0 CA-C-O 120.814 0.34 . . . . 0.0 110.521 176.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.464 0 C5'-C4'-C3' 110.02 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C4'-C3' 110.495 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.964 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 O3'-P-O5' 100.425 -1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-C2' 102.776 -3.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.456 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.009 1 C5'-C4'-O4' 102.228 -4.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.939 2 O4'-C4'-C3' 111.163 5.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.559 0 O4'-C1'-C2' 103.157 -2.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . 0.424 ' H41' ' CD ' ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O5' 1.619 2.623 2 O3'-P-O5' 95.644 -4.398 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.415 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.534 0 C5'-C4'-C3' 119.197 2.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.415 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.575 8.058 1 O3'-P-O5' 94.151 -5.184 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.701 1 C5'-C4'-C3' 105.721 -5.986 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.552 5.139 0 O4'-C4'-C3' 109.307 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.954 1 O3'-P-O5' 94.04 -5.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.697 2 O4'-C4'-C3' 110.879 5.279 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.5 1 P-O3'-C3' 124.859 4.299 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.455 0 P-O3'-C3' 124.166 3.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.087 0 P-O3'-C3' 124.085 3.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.256 0 C3'-C2'-C1' 97.327 -3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.557 3.878 1 C4'-C3'-C2' 98.465 -4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.849 0 C3'-C2'-C1' 107.578 3.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.447 H2'' " O5'" ' C' ' 146' ' ' ' DC' . . . . . . . . 0 P--O5' 1.618 2.481 1 O4'-C4'-C3' 110.668 5.068 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . 0.447 " O5'" H2'' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.416 2 P-O3'-C3' 127.163 6.219 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.408 3 O4'-C4'-C3' 110.153 4.553 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.767 1 P-O3'-C3' 124.595 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.496 1 O5'-C5'-C4' 115.803 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.551 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.751 0 C5'-C4'-C3' 108.969 -3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.551 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.294 2 O4'-C4'-C3' 110.057 4.457 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.916 0 CA-C-O 120.652 0.263 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -152.58 128.96 10.6 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.547 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.68 -1.85 57.85 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.169 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 57.87 22.12 8.32 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 122.757 0.423 . . . . 0.0 111.366 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 155.0 93.99 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.747 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.56 -51.62 5.92 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.591 2.194 . . . . 0.0 112.218 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.97 151.58 49.17 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.819 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 ptm -136.57 155.69 49.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HA ' HD21 ' A' ' 24' ' ' LEU . 48.4 t -61.76 125.96 25.68 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 111.011 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.84 9.13 36.62 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.54 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 76.0 t80 -67.13 135.76 93.85 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 175.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.76 88.86 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.418 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -31.26 2.43 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.856 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.2 t -78.32 177.66 8.28 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.274 0.559 . . . . 0.0 110.952 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -171.41 16.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.434 -178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 145.77 37.72 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.63 -175.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' H ' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.72 152.0 20.14 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.277 0.56 . . . . 0.0 111.364 -173.047 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.655 ' CD2' HD23 ' A' ' 24' ' ' LEU . 93.5 m-85 -144.81 162.3 37.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.976 -176.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -121.11 -22.32 6.14 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.313 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 1.4 mppt? -115.76 115.61 26.61 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.377 178.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.0 tp -45.75 -43.83 13.3 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 120.787 0.327 . . . . 0.0 111.018 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -68.09 -45.87 72.56 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.24 -29.43 70.22 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.74 0.305 . . . . 0.0 110.428 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.655 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.25 -38.35 66.01 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 170.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.27 -38.6 80.52 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -49.31 78.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.623 173.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.92 -40.02 79.4 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 120.689 0.28 . . . . 0.0 110.64 176.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -59.45 -35.3 73.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -38.6 70.79 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.763 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -57.02 -41.63 78.92 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.532 0.206 . . . . 0.0 110.707 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 13.6 m-70 -64.15 -21.12 66.43 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -173.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -52.16 -25.27 8.62 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.47 3.96 37.25 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.625 -0.321 . . . . 0.0 112.935 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.32 -43.14 34.1 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.138 0.469 . . . . 0.0 110.647 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -149.33 84.07 6.3 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.272 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.33 153.47 74.2 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.369 2.046 . . . . 0.0 112.141 -178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -74.45 175.35 7.82 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.499 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.4 157.87 43.43 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.316 170.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 t -50.49 131.76 24.95 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.858 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -79.94 -4.66 53.38 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -67.81 -22.23 65.18 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.134 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 70.63 -44.61 0.58 Allowed 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 123.976 0.91 . . . . 0.0 111.671 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.75 -18.49 65.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.9 150.11 28.17 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.676 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.45 20.83 4.33 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.914 -178.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -66.91 140.68 57.78 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.037 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -107.6 147.25 30.86 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.717 0.294 . . . . 0.0 111.131 -172.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.6 m-85 -134.61 139.24 45.19 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.74 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p -85.54 -5.88 59.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.623 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -138.13 141.31 40.16 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.936 0.398 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -58.6 -37.72 76.45 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.039 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.51 -33.9 74.95 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.325 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -70.13 -35.24 73.93 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.5 0.19 . . . . 0.0 110.569 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.0 tp -67.91 -43.64 78.77 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.588 171.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -62.01 -39.77 93.4 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.702 0.287 . . . . 0.0 110.834 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -62.01 -47.44 84.74 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.257 173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.3 t60 -60.77 -39.61 89.45 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.17 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -53.09 -38.43 62.55 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.543 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.44 63.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.112 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -55.83 -45.6 78.33 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.085 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -77.78 -24.25 48.96 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.185 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.0 p -74.93 -29.62 61.01 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.791 -0.186 . . . . 0.0 110.929 174.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.54 -7.95 29.67 Favored Glycine 0 CA--C 1.547 2.067 0 CA-C-N 116.531 -0.304 . . . . 0.0 112.503 -177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.82 137.31 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.958 0.409 . . . . 0.0 110.679 -177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.76 85.97 58.26 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.02 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.06 -20.03 10.35 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.74 2.293 . . . . 0.0 113.341 -169.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' HB3' HD13 ' A' ' 82' ' ' LEU . 95.2 m-85 -79.4 82.69 5.51 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.763 0.316 . . . . 0.0 110.401 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.19 127.72 36.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.202 -174.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 42.3 t -68.8 131.53 45.3 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.45 170.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -77.17 -13.49 59.94 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.269 176.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.14 -70.54 0.68 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.314 0.246 . . . . 0.0 110.873 -174.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.84 0.38 57.48 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.388 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 61.13 29.71 19.0 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.526 0.33 . . . . 0.0 110.975 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' NH1' ' H ' ' A' ' 75' ' ' LYS . 8.0 mmm180 -75.49 161.31 29.31 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.313 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' H ' ' NH1' ' A' ' 74' ' ' ARG . 62.4 mttp -133.54 128.16 34.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.706 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -121.98 162.35 21.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.7 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.9 p -107.15 -4.29 19.0 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.188 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -137.72 134.62 35.56 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.82 0.343 . . . . 0.0 110.594 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 p -63.77 -32.49 74.01 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.312 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -63.8 -34.98 79.12 Favored 'General case' 0 CA--C 1.557 1.228 0 CA-C-O 120.679 0.276 . . . . 0.0 111.039 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.54 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 66.5 m170 -77.21 -37.94 52.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.852 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -63.44 -47.61 81.16 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.628 176.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.63 -36.9 85.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.57 0.224 . . . . 0.0 110.671 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.4 m -64.62 -49.75 69.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.644 0.259 . . . . 0.0 110.505 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -63.66 -32.81 74.41 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.986 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 56.6 m -54.34 -40.83 68.42 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.545 0.338 . . . . 0.0 110.774 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.8 mtm-85 -62.0 -22.57 65.8 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.066 -177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -38.85 66.52 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 120.667 0.27 . . . . 0.0 110.768 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.46 -27.69 29.31 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.226 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 p -91.71 -6.28 52.26 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.6 40.83 Favored Glycine 0 CA--C 1.549 2.209 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.569 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -70.47 100.27 1.75 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -120.61 84.47 36.75 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.349 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -85.9 -14.84 5.05 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.743 2.295 . . . . 0.0 112.992 -174.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -85.12 77.88 9.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.7 t -78.77 146.06 34.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.794 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.29 161.23 30.75 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 170.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.65 3.93 6.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.802 -176.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -62.33 148.74 89.13 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.56 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.69 22.54 0.29 Allowed 'Trans proline' 0 CA--C 1.55 1.319 0 C-N-CA 122.956 2.437 . . . . 0.0 113.083 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.7 t -154.68 19.27 0.46 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.106 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.32 151.67 42.19 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 121.157 0.503 . . . . 0.0 111.613 -174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -144.36 24.92 1.56 Allowed 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.932 170.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 36.7 mtmm -74.28 145.8 43.72 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.216 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -128.44 134.01 48.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.314 -171.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -113.37 165.13 12.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.648 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.35 3.11 40.29 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -136.24 141.12 43.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.198 0.523 . . . . 0.0 110.704 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.8 p -57.13 -50.28 73.31 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.511 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.17 -33.6 75.83 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -60.68 -43.66 97.46 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 174.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.8 -40.43 91.9 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.944 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.6 t -58.17 -46.31 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.07 -46.6 89.98 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.712 176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.44 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 45.0 t60 -54.39 -49.57 69.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.796 -0.184 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -56.67 -39.68 74.2 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.787 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -15.83 63.61 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.569 0.224 . . . . 0.0 111.199 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 mtt -114.75 13.08 17.2 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.774 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.372 0 CA-C-O 120.723 0.297 . . . . 0.0 110.923 -174.938 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.644 0 C5'-C4'-C3' 111.149 -2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.527 1 O4'-C4'-C3' 109.758 4.158 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 0 O4'-C4'-C3' 108.906 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 P-O3'-C3' 123.551 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.454 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.628 3.462 1 C5'-C4'-C3' 106.86 -5.227 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.54 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 P--O5' 1.66 6.714 0 P-O3'-C3' 123.942 3.535 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.558 0 P-O3'-C3' 122.43 2.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.307 0 O4'-C4'-C3' 108.897 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.266 1 O4'-C4'-C3' 110.042 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.381 -3.865 0 P-O3'-C3' 123.152 2.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.63 2 C5'-C4'-O4' 116.261 4.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.973 0 O4'-C1'-C2' 102.174 -3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.567 3.868 1 C5'-C4'-C3' 108.666 -4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.45 1 O5'-C5'-C4' 115.968 4.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.416 0 O4'-C4'-C3' 108.947 3.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.639 4.641 1 P-O3'-C3' 126.671 5.809 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.32 0 P-O3'-C3' 123.897 3.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.96 0 P-O3'-C3' 124.401 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.935 0 C5'-C4'-C3' 110.14 -3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.049 4 C4'-C3'-C2' 97.878 -5.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.491 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C4'-C3' 111.943 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.491 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.402 0 O4'-C4'-C3' 108.894 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.55 3.208 1 O4'-C1'-C2' 98.224 -7.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.651 2 O4'-C4'-C3' 110.666 5.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.428 1 O3'-P-O5' 96.112 -4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.15 0 C5'-C4'-C3' 109.271 -3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.544 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.399 -2.49 1 O4'-C4'-C3' 110.408 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.544 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 P--O5' 1.64 4.664 2 C4'-C3'-C2' 97.43 -5.77 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.451 ' N ' HH12 ' A' ' 5' ' ' ARG . . . . . . . . 0 CA--C 1.551 1.019 0 CA-C-O 120.624 0.25 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -133.72 15.31 3.99 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.179 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -118.74 163.27 17.11 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.718 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -66.78 141.81 57.58 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.16 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.451 HH12 ' N ' ' A' ' 1' ' ' ALA . 21.1 mtp85 -129.68 79.73 73.0 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.413 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -54.41 -49.18 17.79 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.429 2.086 . . . . 0.0 111.719 170.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -126.01 163.27 23.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.199 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.1 mtp -136.24 158.69 43.83 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.771 0.32 . . . . 0.0 110.321 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 t -72.48 142.76 48.57 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.998 173.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.06 -1.67 58.14 Favored 'General case' 0 CA--C 1.561 1.378 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.771 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 81.9 t80 -80.88 123.5 82.2 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 122.362 -0.211 . . . . 0.0 110.569 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.21 -25.89 58.02 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.884 2.389 . . . . 0.0 113.593 -175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.2 -5.8 79.47 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.496 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.1 t -114.42 -77.97 0.58 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 122.494 0.318 . . . . 0.0 110.465 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 57.82 19.47 5.71 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.118 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -79.33 164.45 24.07 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 120.62 0.248 . . . . 0.0 110.362 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' H ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -98.71 155.98 17.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.263 0.554 . . . . 0.0 111.969 -169.757 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.752 ' CD1' HD23 ' A' ' 24' ' ' LEU . 67.3 m-85 -142.01 170.1 16.35 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.776 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -117.06 -46.26 2.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.571 0.224 . . . . 0.0 111.23 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 27.7 mtmm -91.79 116.41 28.88 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.477 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -48.25 -43.15 32.22 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.135 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 p -68.05 -46.04 72.22 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.736 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.32 -30.43 71.48 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.617 0.246 . . . . 0.0 110.395 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.16 -39.77 65.39 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 170.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -58.16 -41.13 83.13 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -48.15 82.24 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.745 173.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.98 -41.04 82.13 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.712 0.291 . . . . 0.0 110.812 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -59.01 -34.57 72.03 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.539 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -38.38 68.65 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -56.33 -45.4 80.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.623 0.249 . . . . 0.0 110.938 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 51.1 m-70 -71.74 -20.96 61.82 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -171.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.8 p -52.36 -20.38 2.74 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.21 17.94 16.43 Favored Glycine 0 CA--C 1.551 2.311 0 C-N-CA 121.691 -0.29 . . . . 0.0 112.555 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.41 1.86 14.51 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.868 0.334 . . . . 0.0 111.475 -176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -118.64 100.15 51.22 Favored Pre-proline 0 N--CA 1.476 0.835 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.12 162.73 25.78 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 122.574 2.183 . . . . 0.0 113.216 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -133.77 178.56 6.85 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.439 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -131.41 152.75 50.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.752 171.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.0 t -50.16 131.03 23.45 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.012 0.434 . . . . 0.0 111.051 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -78.61 0.77 25.07 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.324 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -67.59 -12.06 59.53 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 122.252 0.221 . . . . 0.0 111.179 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 73.21 -51.18 0.71 Allowed 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 123.496 0.718 . . . . 0.0 111.48 175.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -77.79 -2.51 36.75 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.008 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' A' ' 46' ' ' ARG . 31.5 t -100.77 148.37 24.99 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.121 0.486 . . . . 0.0 110.884 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -121.24 23.99 10.23 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.943 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -87.57 133.57 33.77 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.111 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -114.71 147.1 40.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.497 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.499 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -130.76 139.31 50.23 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.522 -174.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.5 p -84.65 -7.05 59.37 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -141.32 151.72 43.83 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.993 0.425 . . . . 0.0 110.97 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -42.52 87.03 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.685 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.98 -39.44 92.2 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.094 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.5 -46.93 87.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.79 -45.01 96.04 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -60.58 -44.9 95.7 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.085 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.43 -46.6 83.37 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 173.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.85 -36.89 80.3 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.376 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -53.45 -38.15 63.29 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.444 0.164 . . . . 0.0 110.892 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HE ' ' CG2' ' A' ' 64' ' ' VAL . 13.6 mmp_? -55.46 -33.31 63.52 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 120.445 0.164 . . . . 0.0 111.081 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -64.07 -31.76 73.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.346 0.258 . . . . 0.0 111.439 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -94.34 -36.57 11.89 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 120.661 0.267 . . . . 0.0 111.078 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -78.37 -23.58 46.82 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.076 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.65 -7.3 41.59 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 121.718 -0.277 . . . . 0.0 112.945 173.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' CG2' ' HE ' ' A' ' 59' ' ' ARG . 34.9 m -69.04 138.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.991 0.425 . . . . 0.0 110.817 -177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -128.9 84.2 63.85 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.1 -19.19 10.84 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.706 2.271 . . . . 0.0 113.265 -170.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.3 m-85 -84.49 95.1 8.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 120.581 0.229 . . . . 0.0 110.432 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -98.89 135.18 40.69 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.727 0.299 . . . . 0.0 111.032 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.8 t -65.08 146.92 54.37 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.448 169.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -90.72 -9.16 47.73 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.76 -70.57 0.71 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.6 0.36 . . . . 0.0 110.78 -177.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.7 p -85.7 -7.79 58.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.599 0.237 . . . . 0.0 111.306 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 65.47 18.48 11.31 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.826 0.451 . . . . 0.0 111.378 -178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -74.71 158.0 34.31 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.58 141.84 48.91 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.06 160.33 37.5 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.215 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 p -104.94 -3.62 23.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.502 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -135.7 130.1 33.71 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.82 0.343 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -60.31 -33.71 72.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.266 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.99 -35.04 79.49 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.21 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 65.9 m170 -76.52 -34.24 58.57 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.788 -0.187 . . . . 0.0 110.903 176.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.4 tt -67.41 -47.72 69.42 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.512 0.196 . . . . 0.0 110.558 176.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.89 -34.43 77.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.0 m -67.3 -49.45 64.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.708 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -63.45 -30.6 71.7 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.019 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.5 m -54.32 -40.98 68.48 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.591 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -62.2 -25.24 67.68 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.473 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.0 p -65.17 -29.11 69.92 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.463 0.173 . . . . 0.0 110.845 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -92.61 -26.63 17.77 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.762 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 m -91.8 -6.27 52.04 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.55 -172.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.98 13.21 47.03 Favored Glycine 0 CA--C 1.55 2.22 0 C-N-CA 121.338 -0.458 . . . . 0.0 112.406 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.33 96.15 2.79 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -174.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -119.68 80.54 23.96 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -82.4 -20.8 5.69 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.76 2.307 . . . . 0.0 112.874 -176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.9 m-85 -79.14 76.92 5.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.006 0.431 . . . . 0.0 110.615 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 m -82.35 142.41 32.05 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.618 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.411 ' HA ' HD11 ' A' ' 112' ' ' LEU . 29.4 t -70.45 151.42 45.16 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.211 0.529 . . . . 0.0 111.079 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -105.62 -1.99 23.99 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.319 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -67.57 151.43 97.17 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-O 120.657 0.265 . . . . 0.0 110.415 177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.71 129.38 22.11 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.512 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 p 63.73 14.36 8.16 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.129 0.572 . . . . 0.0 112.033 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.5 t -97.86 -83.41 0.4 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 120.684 0.278 . . . . 0.0 110.669 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 56.59 30.98 18.28 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 122.938 0.495 . . . . 0.0 111.39 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 137.87 58.29 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 169.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -111.15 140.27 45.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.916 0.389 . . . . 0.0 111.2 -170.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -130.33 159.53 36.7 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.805 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.58 -1.04 41.93 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.193 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -135.06 141.77 46.18 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.141 0.496 . . . . 0.0 110.827 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 7.8 p -57.2 -48.07 79.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -64.72 -33.57 76.28 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.72 -43.24 98.11 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.5 tp -66.66 -39.56 88.24 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.991 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.26 -45.53 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.38 -46.57 89.62 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.665 176.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.45 -49.34 70.27 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.781 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -58.11 -37.26 74.2 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.893 175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -16.89 63.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.483 0.182 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.4 mtp -107.62 3.66 25.04 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.018 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--N 1.345 0.388 0 CA-C-O 120.728 0.299 . . . . 0.0 111.094 -172.729 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.01 0 C3'-C2'-C1' 98.315 -3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.387 -3.282 0 O4'-C4'-C3' 109.572 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.302 0 O4'-C4'-C3' 108.221 2.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.552 2.362 1 O4'-C4'-C3' 109.865 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 0 P-O3'-C3' 124.418 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.513 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.551 4.974 1 O4'-C4'-C3' 109.753 4.153 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.362 0 P-O3'-C3' 124.227 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.128 2 C5'-C4'-C3' 107.406 -4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.551 0 O4'-C4'-C3' 109.446 3.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.4 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.208 3 C4'-C3'-C2' 97.058 -6.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.48 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.549 4.722 1 O3'-P-O5' 93.635 -5.455 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.48 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.552 5.129 0 O4'-C4'-C3' 109.331 3.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.597 5.445 2 C4'-C3'-C2' 109.403 6.203 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.538 2 P-O3'-C3' 128.344 7.204 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.138 0 O4'-C4'-C3' 108.92 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C4'-C3' 109.322 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.087 2 P-O3'-C3' 125.71 5.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 P-O3'-C3' 123.797 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . 0.41 " H1'" " H5'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 P--O5' 1.631 3.767 0 O4'-C1'-C2' 103.133 -2.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.412 " H1'" H5'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.728 1 P-O3'-C3' 124.895 4.329 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.455 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.387 -3.33 1 O4'-C4'-C3' 110.85 5.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.455 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.392 -2.181 3 C4'-C3'-C2' 97.513 -5.687 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.138 0 P-O5'-C5' 125.033 2.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 3.011 0 O4'-C1'-C2' 102.212 -3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.366 0 O3'-P-O5' 98.691 -2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.713 0 O4'-C4'-C3' 109.531 3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.598 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.405 -3.753 2 C5'-C4'-C3' 107.865 -4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.598 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.408 -3.488 1 C3'-C2'-C1' 96.916 -4.131 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 120.584 0.231 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -69.06 -25.63 64.55 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.167 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -77.33 62.51 2.36 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 120.991 0.425 . . . . 0.0 110.786 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -76.66 56.31 1.13 Allowed 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.28 83.37 11.02 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.33 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.24 129.98 11.68 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.695 2.263 . . . . 0.0 112.542 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.71 167.12 11.97 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.413 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 1.4 pmm? -136.25 158.66 43.88 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.173 169.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 43.0 t -81.61 131.47 35.27 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.733 172.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.12 -7.36 58.87 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.781 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 60.0 t80 -70.79 127.23 92.03 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 120.463 0.173 . . . . 0.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.03 -14.59 35.41 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.727 2.285 . . . . 0.0 113.334 -171.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.91 -2.59 71.57 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.156 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 7.9 t -120.16 -67.35 0.99 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.501 0.32 . . . . 0.0 110.776 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.13 36.76 1.59 Allowed 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 123.004 0.522 . . . . 0.0 111.693 -177.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.5 -172.35 3.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.784 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 61.8 mmt-85 -119.19 154.75 32.84 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.102 0.477 . . . . 0.0 111.457 -174.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.653 ' CD2' HD23 ' A' ' 24' ' ' LEU . 70.7 m-85 -141.68 170.06 16.43 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.965 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.13 -9.71 6.49 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 42.9 mmtm -132.76 114.84 14.61 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.2 tp -46.66 -42.23 16.07 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 120.674 0.273 . . . . 0.0 110.85 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -68.3 -46.12 71.18 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.12 -29.3 68.19 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.19 -34.3 65.9 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.054 169.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.5 88.0 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 171.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -49.84 75.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -58.19 -39.02 77.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 120.669 0.271 . . . . 0.0 111.144 178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -59.1 -34.87 72.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.323 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -55.56 -38.12 68.91 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -56.18 -45.46 79.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.496 0.188 . . . . 0.0 110.579 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -71.52 -21.49 61.91 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -172.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.97 -29.71 63.47 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.535 0.207 . . . . 0.0 110.885 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.84 -0.59 60.32 Favored Glycine 0 CA--C 1.543 1.821 0 C-N-CA 121.58 -0.343 . . . . 0.0 112.531 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -92.04 -45.79 8.13 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.788 0.294 . . . . 0.0 110.687 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.36 86.6 8.9 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.253 172.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.77 167.42 25.81 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.658 2.239 . . . . 0.0 112.493 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.3 m-85 -71.56 172.19 10.06 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.279 170.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -132.42 151.79 51.74 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -51.06 129.79 24.62 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 121.075 0.464 . . . . 0.0 111.375 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.3 -8.79 57.36 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.21 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -66.23 -17.46 64.75 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.317 0.247 . . . . 0.0 111.224 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER 71.7 -48.5 0.68 Allowed 'General case' 0 N--CA 1.503 2.185 0 C-N-CA 123.666 0.787 . . . . 0.0 111.901 175.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -73.17 -14.09 61.29 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.658 0.266 . . . . 0.0 110.733 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.4 t -88.32 161.33 17.2 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.336 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.32 22.96 4.42 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.98 -176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -94.72 145.87 24.56 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.013 0.435 . . . . 0.0 110.548 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -121.66 147.18 46.2 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.3 m-85 -132.12 139.33 48.42 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.613 -176.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 p -72.25 -31.45 65.8 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.409 -172.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -122.42 156.34 34.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.324 0.583 . . . . 0.0 111.404 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.21 77.63 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.045 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -69.37 -34.79 75.07 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.418 0.152 . . . . 0.0 111.3 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.41 -43.35 86.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.4 tp -63.34 -44.47 94.77 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.72 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.89 -41.15 97.54 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.848 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -58.7 -47.37 84.79 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 75.2 t60 -60.77 -39.62 89.48 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.187 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -53.41 -38.11 63.13 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.967 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -55.14 -33.39 62.86 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 122.476 -0.14 . . . . 0.0 110.987 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.36 -37.03 85.69 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 122.251 0.22 . . . . 0.0 111.299 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -87.0 -35.09 18.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.661 0.267 . . . . 0.0 111.061 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.2 p -82.12 -26.41 33.58 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.155 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.1 11.91 84.62 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 121.568 -0.349 . . . . 0.0 112.369 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.1 t -76.17 114.63 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -122.08 86.48 46.88 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.369 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.91 -18.96 7.41 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.688 2.259 . . . . 0.0 113.029 -174.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.591 ' HB3' HD13 ' A' ' 82' ' ' LEU . 87.0 m-85 -86.35 92.67 8.89 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -101.71 134.97 44.02 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.773 0.32 . . . . 0.0 110.722 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.78 132.46 49.63 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.685 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -23.88 67.49 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.026 174.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -74.59 0.51 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.137 -172.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -88.88 -5.05 58.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.236 0.214 . . . . 0.0 111.418 -173.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 64.84 20.58 12.16 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.765 0.426 . . . . 0.0 111.483 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -65.65 139.1 58.38 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -112.4 135.29 53.27 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.894 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -131.57 159.7 37.45 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.513 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -106.73 9.24 31.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.942 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -140.35 126.66 19.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.1 p -66.53 -33.56 75.96 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.64 -38.38 90.04 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-N 116.776 -0.193 . . . . 0.0 110.754 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.8 m-70 -68.4 -44.94 73.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.938 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.8 tt -65.06 -47.27 77.92 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.512 0.196 . . . . 0.0 110.913 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -62.86 -35.32 79.6 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.573 0.225 . . . . 0.0 110.782 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.2 m -66.76 -49.59 65.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.824 0.345 . . . . 0.0 110.633 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.48 -32.87 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.971 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -54.25 -40.92 68.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -62.23 -23.11 66.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.7 p -62.54 -26.5 68.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.565 0.221 . . . . 0.0 110.814 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -93.06 -29.29 15.87 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.087 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.4 p -91.79 -6.32 51.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 66.04 14.42 61.24 Favored Glycine 0 CA--C 1.548 2.151 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.71 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -73.09 100.68 3.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.46 80.56 10.23 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.308 173.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -82.32 -15.04 9.11 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.651 2.234 . . . . 0.0 113.163 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -85.32 76.16 10.16 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.86 0.362 . . . . 0.0 110.827 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 p -83.8 142.69 30.47 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.962 0.41 . . . . 0.0 110.863 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.23 147.96 49.15 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.196 0.522 . . . . 0.0 111.073 -176.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -103.46 -4.38 24.11 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.256 -175.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -63.42 149.79 91.09 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-O 120.606 0.241 . . . . 0.0 110.483 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.83 20.41 0.53 Allowed 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 122.756 2.304 . . . . 0.0 113.451 -170.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.7 p -172.84 64.55 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.641 0.258 . . . . 0.0 110.738 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 36.4 t -161.98 -82.85 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.681 0.276 . . . . 0.0 111.15 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.31 25.16 14.62 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.983 0.513 . . . . 0.0 111.713 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 146.36 54.58 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 169.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -121.2 131.43 54.23 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 111.354 -169.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -120.26 164.04 16.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.825 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.64 -3.12 31.01 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.233 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -134.64 146.02 49.15 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.148 0.499 . . . . 0.0 110.714 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.629 ' O ' HG13 ' A' ' 113' ' ' VAL . 6.3 p -57.75 -50.26 73.82 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.506 178.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -62.14 -33.56 74.72 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -60.57 -43.35 97.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.77 -40.61 84.02 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.204 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 109' ' ' SER . 17.1 m -61.59 -41.52 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.635 0.255 . . . . 0.0 110.646 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -66.14 -46.61 76.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.635 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -54.93 -45.9 74.88 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.953 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.14 -33.59 67.55 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.669 -0.242 . . . . 0.0 110.946 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -18.0 65.14 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.859 -0.155 . . . . 0.0 111.065 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.5 mtt -79.42 -18.27 52.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 120.476 0.179 . . . . 0.0 110.976 176.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.346 0.455 0 CA-C-O 120.809 0.338 . . . . 0.0 110.477 177.192 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.286 0 C3'-C2'-C1' 98.761 -2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 0 O4'-C4'-C3' 108.562 2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.954 0 C3'-C2'-C1' 98.199 -3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.484 1 C5'-C4'-C3' 108.083 -4.411 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.403 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.553 5.26 0 P-O3'-C3' 124.189 3.741 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.479 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O3'-P-O5' 98.606 -2.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.485 2 O4'-C4'-C3' 110.757 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.55 2.237 0 O4'-C4'-C3' 108.976 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.55 4.878 0 O4'-C4'-C3' 108.613 3.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.73 2 O4'-C4'-C3' 112.691 7.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.851 5 O4'-C4'-C3' 113.714 8.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.534 -5.851 3 O4'-C4'-C3' 113.099 7.499 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.082 1 P-O3'-C3' 124.968 4.39 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.652 5.859 2 O3'-P-O5' 92.587 -6.007 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.636 0 C2'-C3'-O3' 118.107 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 1 P-O3'-C3' 124.803 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.079 5 O4'-C4'-C3' 112.838 7.238 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 P-O3'-C3' 124.978 4.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.655 4.019 0 O5'-C5'-C4' 114.863 3.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.444 " H1'" H5'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.598 2 O4'-C4'-C3' 111.175 5.575 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.444 H5'' " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.403 -3.917 3 O4'-C4'-C3' 111.029 5.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.426 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 1 P--O5' 1.64 4.718 1 O4'-C4'-C3' 110.225 4.625 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.218 0 C5'-C4'-C3' 109.515 -3.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.295 1 O4'-C1'-C2' 100.892 -4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.538 1 O3'-P-O5' 93.989 -5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 C5'-C4'-C3' 108.544 -4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.577 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.418 -2.509 0 O4'-C4'-C3' 108.641 3.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.577 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.633 3.957 0 O4'-C4'-C3' 109.234 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.721 0.296 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -56.29 -29.02 60.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.367 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -52.53 -34.59 50.65 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.157 176.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -113.94 8.2 17.13 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.46 67.08 12.68 Favored Pre-proline 0 CA--C 1.557 1.213 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.59 178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -81.14 156.17 19.79 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 21' ' ' LEU . 84.8 m-85 -128.34 159.15 36.21 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.78 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.1 mtp -136.38 150.02 48.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 168.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.82 129.44 39.95 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.993 0.425 . . . . 0.0 110.942 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.84 -9.27 58.48 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.785 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -70.01 128.23 91.82 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-O 120.535 0.207 . . . . 0.0 110.463 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.73 -16.29 41.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.664 2.243 . . . . 0.0 113.224 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.99 -9.21 66.07 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.196 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 41.6 t -110.33 -75.89 0.62 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 122.325 0.25 . . . . 0.0 111.0 -174.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.91 29.95 1.82 Allowed 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 123.065 0.546 . . . . 0.0 111.873 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 1.6 mppt? -84.37 167.38 16.57 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 171.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 151.52 20.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.092 0.473 . . . . 0.0 111.606 -171.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.604 ' CD2' HD23 ' A' ' 24' ' ' LEU . 75.9 m-85 -134.26 162.0 33.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.734 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -115.99 -14.09 11.24 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.318 -175.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 88.6 mttt -132.03 113.9 13.93 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 122.402 0.281 . . . . 0.0 110.574 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 55.5 tp -45.3 -42.37 9.69 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 120.716 0.293 . . . . 0.0 111.111 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.12 -45.93 72.29 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.678 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.07 -29.24 68.96 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 -179.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.19 -35.1 66.32 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 169.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -39.97 80.54 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 172.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.9 mmt -63.34 -49.8 72.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.471 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -58.03 -34.49 70.12 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.733 0.301 . . . . 0.0 111.06 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.7 m -58.79 -34.48 71.51 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -54.42 -38.06 65.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.635 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.27 -47.43 78.61 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.462 0.172 . . . . 0.0 110.701 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -70.44 -21.43 62.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -171.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -56.25 -27.4 54.9 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.453 0.168 . . . . 0.0 110.986 175.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.5 -6.38 59.77 Favored Glycine 0 CA--C 1.544 1.849 0 C-N-CA 121.598 -0.334 . . . . 0.0 112.613 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -93.35 -36.04 12.73 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.807 0.304 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -143.85 85.19 9.28 Favored Pre-proline 0 N--CA 1.473 0.706 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.417 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.14 164.55 35.31 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.521 2.148 . . . . 0.0 112.233 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 54' ' ' LEU . 93.0 m-85 -73.9 162.77 28.73 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.325 170.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.7 143.28 49.52 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 169.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.77 151.26 47.81 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 173.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.06 -1.84 28.5 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 61' ' ' HIS . 43.1 t80 -71.84 114.36 9.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -19.61 65.83 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -169.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -87.92 9.15 23.12 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.75 -74.66 0.48 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.494 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 52.33 30.72 8.41 Favored 'General case' 0 CA--C 1.561 1.371 0 C-N-CA 122.785 0.434 . . . . 0.0 111.411 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -81.44 156.18 25.49 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.789 0.328 . . . . 0.0 110.353 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' HD3' ' H ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -112.84 141.46 46.63 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -176.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -134.13 139.26 45.78 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.691 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -68.97 -39.74 79.26 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.44 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -114.08 151.7 32.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.051 0.453 . . . . 0.0 111.226 -175.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.51 -39.37 76.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.771 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -66.37 -40.76 89.94 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.101 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -61.33 -46.47 90.11 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.3 tp -62.4 -48.26 80.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.797 175.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.64 -44.9 90.2 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 122.284 0.234 . . . . 0.0 111.308 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -59.81 -46.9 87.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.448 ' CD2' HE21 ' A' ' 58' ' ' GLN . 0.8 OUTLIER -60.59 -36.97 79.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 -177.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.448 HE21 ' CD2' ' A' ' 57' ' ' HIS . 29.4 mm-40 -53.12 -38.02 62.27 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.755 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -55.11 -33.27 62.68 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.935 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -57.39 -31.82 66.2 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.575 0.35 . . . . 0.0 111.652 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 25.3 p80 -132.24 55.46 1.88 Allowed 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.338 0.59 . . . . 0.0 110.508 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 p -153.75 -49.53 0.09 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.369 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.93 -7.33 1.58 Allowed Glycine 0 N--CA 1.48 1.606 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.547 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 t 68.77 -68.19 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.48 0.712 . . . . 0.0 111.206 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -151.59 96.23 3.2 Favored Pre-proline 0 CA--C 1.552 1.035 0 CA-C-O 120.605 0.241 . . . . 0.0 111.268 -170.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 82.4 Cg_endo -88.92 -22.48 1.08 Allowed 'Trans proline' 0 CA--C 1.561 1.838 0 C-N-CA 122.726 2.284 . . . . 0.0 113.433 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 89.9 m-85 -78.22 86.7 4.33 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 120.734 0.302 . . . . 0.0 110.826 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.13 127.47 36.57 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.74 143.59 57.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.476 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -92.43 -12.91 30.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 175.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.71 -64.67 1.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.823 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 30.5 p -98.62 2.13 47.02 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 63.47 18.74 11.27 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.463 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 7.6 mmm180 -70.33 173.51 6.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.561 0.22 . . . . 0.0 110.628 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -137.33 142.94 41.83 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.541 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -133.97 162.08 33.05 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.457 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 9.8 m -97.8 -10.89 24.0 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.62 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -143.88 148.2 35.11 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-O 120.983 0.421 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -68.02 -31.32 70.92 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.045 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.38 -37.95 89.27 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 120.583 0.23 . . . . 0.0 110.812 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.489 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 64.0 m170 -71.51 -36.22 71.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.717 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 8.1 tt -66.87 -47.63 71.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.275 0.083 . . . . 0.0 110.836 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -61.53 -39.47 91.14 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.81 0.338 . . . . 0.0 110.539 175.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 52.1 m -61.19 -49.57 76.65 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.289 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -62.34 -33.01 73.87 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.221 177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.2 m -54.23 -38.99 66.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 122.745 0.418 . . . . 0.0 110.865 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -61.68 -22.46 65.34 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.71 -177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 m -54.4 -47.18 73.03 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.051 172.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.21 -27.55 60.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.681 0.277 . . . . 0.0 110.67 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 m -91.62 -6.26 52.55 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.345 -169.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.91 24.1 59.97 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.189 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.12 123.3 34.48 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.039 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.6 87.9 40.27 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.288 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 85.2 Cg_endo -83.52 -18.45 5.78 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 122.511 2.141 . . . . 0.0 113.059 -175.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -84.26 78.42 9.79 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.927 0.394 . . . . 0.0 111.013 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.6 t -78.65 142.23 37.35 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.668 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.479 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.9 t -70.4 161.33 30.7 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 173.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -86.12 0.53 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.622 175.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.8 m95 54.24 -179.87 0.03 OUTLIER Pre-proline 0 CA--C 1.576 1.965 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 171.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 26.8 Cg_exo -48.01 -43.75 29.52 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.314 2.01 . . . . 0.0 112.662 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 m -170.75 64.28 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.66 0.267 . . . . 0.0 110.52 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.4 t -87.8 177.68 6.93 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 121.308 0.575 . . . . 0.0 111.121 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.469 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.4 tp-100 -160.7 13.97 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.908 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -79.4 137.55 37.32 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -128.52 132.46 48.3 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.09 165.37 12.97 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.908 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.06 -3.73 34.05 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -133.99 141.62 47.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.0 0.429 . . . . 0.0 110.629 177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.1 p -57.15 -48.31 79.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.382 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -63.05 -33.78 76.17 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.78 -42.63 97.93 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.7 tp -67.37 -39.03 85.63 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.003 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.17 -45.71 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.44 -46.54 89.64 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.593 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.5 -49.54 69.93 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.745 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.65 -39.75 74.27 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.77 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -15.71 63.62 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.221 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.1 mtt -114.25 7.23 16.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 122.457 0.303 . . . . 0.0 110.973 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.739 0.305 . . . . 0.0 110.97 -173.361 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.055 0 C3'-C2'-C1' 98.27 -3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 0 O4'-C1'-C2' 108.66 2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 2 C3'-C2'-C1' 96.173 -4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.708 2 O4'-C4'-C3' 110.246 4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.568 0 P-O3'-C3' 123.538 3.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.489 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O3' 1.637 2.508 0 P-O3'-C3' 123.838 3.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.047 3 O4'-C4'-C3' 112.743 7.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 2.964 0 C4'-C3'-C2' 100.075 -3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.145 0 O3'-P-O5' 96.494 -3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.424 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.639 4.586 0 O3'-P-O5' 96.679 -3.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.424 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 0 P--O5' 1.628 3.467 5 C5'-C4'-C3' 104.161 -7.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.699 0 O4'-C1'-C2' 102.136 -3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.422 0 C5'-C4'-C3' 109.03 -3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.799 0 P-O3'-C3' 123.981 3.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.553 5.246 1 O5'-C5'-C4' 118.025 5.589 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.078 1 P-O3'-C3' 125.828 5.106 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.828 2 O5'-C5'-C4' 118.008 5.577 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.514 0 P-O3'-C3' 123.843 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.642 4.918 1 P-O3'-C3' 124.934 4.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.965 1 P-O3'-C3' 124.857 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.73 1 C4'-C3'-C2' 98.906 -4.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.667 0 O4'-C4'-C3' 108.38 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 0 O4'-C4'-C3' 108.201 2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.152 0 O4'-C4'-C3' 109.241 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.878 0 O3'-P-O5' 97.091 -3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.241 0 C5'-C4'-C3' 109.777 -3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.588 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.796 0 O4'-C4'-C3' 108.279 2.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.588 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C4'-C3' 108.863 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.928 0 CA-C-O 120.571 0.224 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -170.73 173.3 5.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 122.559 0.343 . . . . 0.0 110.449 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -75.43 -2.72 29.97 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.411 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -72.92 81.32 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.842 0.354 . . . . 0.0 110.295 173.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.6 mtm-85 -136.1 66.94 61.83 Favored Pre-proline 0 CA--C 1.553 1.058 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.33 -35.34 5.06 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.562 2.174 . . . . 0.0 112.539 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -118.72 162.99 17.51 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.95 0.405 . . . . 0.0 110.738 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 64.1 mtt -136.23 158.76 43.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.573 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.444 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 40.4 t -103.04 124.72 49.06 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.378 171.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 -8.8 57.95 Favored 'General case' 0 CA--C 1.558 1.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.926 -173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.483 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 77.1 t80 -71.82 132.31 85.11 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 120.599 0.238 . . . . 0.0 110.824 -177.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 89.1 Cg_endo -74.82 56.69 4.22 Favored 'Trans proline' 0 CA--C 1.552 1.401 0 C-N-CA 122.968 2.445 . . . . 0.0 112.385 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.52 57.68 0.04 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 43.8 t -152.13 175.67 12.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.675 0.39 . . . . 0.0 110.11 -176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -66.91 -20.34 65.89 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.428 169.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 9' ' ' CYS . 2.9 ttmt 71.51 15.7 6.08 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 123.138 0.575 . . . . 0.0 111.337 169.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 7.1 tmm_? -143.23 141.9 31.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.033 0.444 . . . . 0.0 111.408 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.773 ' CD2' HD23 ' A' ' 24' ' ' LEU . 36.8 m-85 -144.83 170.05 16.86 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -115.69 -37.62 3.91 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.285 -175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 14.7 tppt? -108.9 122.28 46.87 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.625 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.711 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.48 -45.29 36.65 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.044 179.188 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.6 ' H ' HD22 ' A' ' 21' ' ' LEU . 42.3 m -68.08 -45.93 72.43 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.535 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.08 -29.36 69.69 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.41 -38.9 65.42 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.205 169.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.28 -38.76 77.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.99 -48.11 66.68 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.605 173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' CD2' ' CE2' ' A' ' 18' ' ' TYR . 38.8 t60 -58.0 -35.25 70.97 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.635 0.255 . . . . 0.0 111.091 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.6 m -59.04 -35.04 72.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.303 -176.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -38.37 69.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -56.26 -47.34 78.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.534 0.207 . . . . 0.0 110.537 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.483 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 45.5 m-70 -75.67 -21.59 57.5 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -60.05 -27.02 66.6 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.13 -8.57 57.72 Favored Glycine 0 CA--C 1.541 1.705 0 CA-C-N 116.394 -0.366 . . . . 0.0 112.576 175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -87.58 -30.81 20.23 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.783 0.291 . . . . 0.0 110.641 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -118.1 69.02 7.2 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.199 169.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.3 154.47 65.58 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.485 2.123 . . . . 0.0 112.266 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 54' ' ' LEU . 24.0 m-85 -90.17 166.25 13.49 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.383 175.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -132.54 151.2 52.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.753 0.311 . . . . 0.0 110.66 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.73 151.88 37.21 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.345 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.93 -8.42 49.38 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.145 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.62 115.9 23.59 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.896 0.379 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.6 -18.45 65.33 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.008 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -91.34 0.27 57.54 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-N 116.812 -0.176 . . . . 0.0 111.126 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.9 t -117.4 -68.15 0.94 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 49.98 37.84 14.96 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.331 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.88 162.71 23.83 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 171.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 145.23 50.2 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.001 0.429 . . . . 0.0 111.316 -174.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.5 m-85 -129.34 139.39 51.74 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.603 -175.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.0 p -90.06 20.09 4.52 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.499 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -157.25 148.4 21.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.983 0.421 . . . . 0.0 110.954 172.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.4 p -62.85 -42.76 99.87 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.982 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.88 -33.85 76.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.003 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.48 -44.38 87.3 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.419 0.152 . . . . 0.0 110.688 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD22 ' HB3' ' A' ' 37' ' ' TYR . 30.6 tp -63.61 -45.64 89.42 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.716 174.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -60.79 -42.48 97.65 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.4 -47.4 85.95 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.83 0.347 . . . . 0.0 110.295 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 41.9 t60 -60.75 -36.82 79.88 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.168 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -53.09 -36.73 61.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.525 0.33 . . . . 0.0 110.911 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 11.5 mmp_? -55.13 -32.89 62.41 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.023 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -55.75 -41.67 74.32 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.331 0.252 . . . . 0.0 111.443 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -93.63 -31.06 14.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.352 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -77.93 -26.09 48.71 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.817 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.3 -9.19 76.22 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.474 -0.33 . . . . 0.0 112.964 171.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 13.1 p -73.46 121.45 24.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-O 121.072 0.463 . . . . 0.0 110.651 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -122.79 87.65 50.17 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.989 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.91 -20.1 11.97 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.752 2.301 . . . . 0.0 113.526 -169.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.2 m-85 -82.76 86.09 6.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -94.36 133.99 37.34 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.94 128.71 36.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.409 171.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -71.35 -16.27 62.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.883 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -71.99 0.57 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.019 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -93.77 -4.06 50.98 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.185 0.194 . . . . 0.0 111.522 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 66.71 19.56 10.75 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.758 0.423 . . . . 0.0 111.482 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -67.64 139.67 56.83 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -111.4 132.16 54.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -172.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.42 160.1 28.95 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.51 -177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -110.35 9.18 23.56 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -144.44 121.4 11.35 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.668 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t -60.27 -29.4 68.78 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.223 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -63.64 -39.79 95.25 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.739 0.304 . . . . 0.0 110.94 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.531 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 64.0 m170 -75.28 -38.07 60.57 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.4 tt -65.67 -47.38 75.67 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 121.366 -0.134 . . . . 0.0 110.64 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.28 -42.04 99.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.58 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.5 m -59.82 -49.48 77.53 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.779 0.323 . . . . 0.0 110.59 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.78 -38.73 92.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.985 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.6 m -54.96 -41.5 71.22 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -69.18 -23.0 63.87 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.959 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 p -68.97 -34.93 76.13 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 120.383 0.135 . . . . 0.0 110.739 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -81.29 -19.19 43.5 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 120.647 0.261 . . . . 0.0 110.546 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.7 m -91.69 -6.11 52.6 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.855 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.29 14.61 66.72 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 121.404 -0.427 . . . . 0.0 112.4 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.93 105.24 12.0 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 110.638 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.52 82.01 63.75 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.452 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -86.0 -14.73 4.99 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 122.8 2.333 . . . . 0.0 113.191 -173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -83.9 77.43 9.9 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.9 t -79.09 145.6 33.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.28 156.15 39.67 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.169 169.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -124.42 4.79 8.37 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.878 -176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -61.74 150.23 82.63 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 120.727 0.299 . . . . 0.0 110.713 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.95 23.25 0.3 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 122.997 2.465 . . . . 0.0 113.058 -174.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.1 m -161.53 23.13 0.12 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.29 0.236 . . . . 0.0 110.882 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 33.9 t -144.46 168.69 19.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.219 0.533 . . . . 0.0 111.223 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 1.1 tp-100 -164.38 29.5 0.07 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.04 171.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -68.15 143.62 55.32 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.1 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -123.79 133.85 53.74 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 111.171 -171.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.72 164.47 17.34 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.909 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.99 -3.42 32.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -130.54 139.77 50.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.985 0.421 . . . . 0.0 110.676 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.9 p -57.14 -48.16 79.38 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.303 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -64.52 -33.52 76.1 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.777 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.59 -43.06 97.79 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 173.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 tp -66.87 -40.35 87.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.078 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.23 -47.39 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -60.9 -46.74 89.42 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.671 177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -57.6 -47.39 82.27 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.985 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -56.69 -33.6 66.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.791 176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -16.25 63.84 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.441 0.162 . . . . 0.0 111.212 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 50.8 mtt -81.03 -17.94 48.48 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.527 0.203 . . . . 0.0 110.97 175.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.346 0.452 0 CA-C-O 120.75 0.31 . . . . 0.0 110.469 177.146 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.726 0 C5'-C4'-C3' 109.356 -3.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.879 1 O4'-C4'-C3' 110.162 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 1 C3'-C2'-C1' 96.764 -4.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.119 0 O4'-C4'-C3' 108.82 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.775 0 C3'-C2'-C1' 99.119 -2.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.531 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O3'-P-O5' 98.338 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.45 1 O4'-C4'-C3' 110.474 4.874 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.56 6.063 0 O4'-C1'-C2' 102.916 -2.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.649 1 O3'-P-O5' 94.94 -4.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.094 1 P-O3'-C3' 124.873 4.311 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.523 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.562 6.382 2 O4'-C1'-C2' 100.124 -5.433 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.523 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.542 2.41 0 C5'-C4'-C3' 108.751 -3.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.395 -2.791 1 O4'-C4'-C3' 109.621 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.193 1 O3'-P-O5' 93.5 -5.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 O5'-C5'-C4' 115.638 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.397 -4.413 1 O4'-C4'-C3' 111.004 5.404 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.446 0 P-O3'-C3' 124.044 3.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.733 1 O3'-P-O5' 96.385 -4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.673 5.463 0 C2'-C3'-O3' 118.452 2.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 2 O4'-C4'-C3' 110.591 4.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.854 1 O5'-C5'-C4' 116.098 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.552 5.159 0 P-O3'-C3' 124.013 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.029 1 O4'-C1'-C2' 101.239 -4.419 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.616 2 O4'-C4'-C3' 111.99 6.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O3'-P-O5' 98.578 -2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.354 0 C5'-C4'-C3' 109.307 -3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.533 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 1 P--O5' 1.637 4.438 2 C5'-C4'-C3' 107.495 -4.804 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.533 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C1'-C2' 109.591 3.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.848 0 CA-C-O 120.732 0.301 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -69.9 -13.87 62.46 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.226 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -77.12 35.64 0.17 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 122.606 0.362 . . . . 0.0 111.391 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp 50.84 44.06 28.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 122.58 0.352 . . . . 0.0 111.186 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -62.73 158.69 49.82 Favored Pre-proline 0 CA--C 1.552 1.019 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.659 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -71.49 89.18 0.72 Allowed 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 122.522 2.148 . . . . 0.0 111.896 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -76.26 85.86 3.07 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.43 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 26.3 ptt? -80.83 138.42 36.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.079 0.466 . . . . 0.0 110.78 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.37 140.31 56.23 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.666 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.02 -17.13 61.47 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.501 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 66.6 t80 -72.5 117.87 62.8 Favored Pre-proline 0 CA--C 1.549 0.937 0 CA-C-O 120.565 0.222 . . . . 0.0 110.984 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -65.89 110.72 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 122.637 2.225 . . . . 0.0 112.082 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.83 -38.84 2.08 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.2 -78.13 0.26 Allowed 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m120 49.62 27.18 2.04 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.554 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -69.39 152.96 44.3 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.413 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -98.49 127.55 44.47 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.155 0.502 . . . . 0.0 111.094 -170.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 60.9 m-85 -109.34 170.32 8.13 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.441 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.98 -38.43 3.65 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.601 -176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 49.8 mtpt -97.39 115.55 27.94 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.653 0.263 . . . . 0.0 110.492 179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 tt -44.85 -47.19 11.08 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.797 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -67.93 -45.27 74.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.936 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.97 -30.92 71.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.586 0.231 . . . . 0.0 110.407 -178.595 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.1 -42.04 63.39 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.264 170.068 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -57.98 -38.79 76.72 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 tpt -64.31 -46.63 82.74 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -57.85 -36.81 72.82 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.574 0.225 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 p -59.07 -34.99 72.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.747 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' HG22 ' A' ' 32' ' ' THR . 7.2 tmm_? -55.69 -38.23 69.38 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.4 -42.62 78.26 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.561 0.219 . . . . 0.0 110.469 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 74.8 m-70 -78.51 -21.39 48.96 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.354 -176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -59.72 -14.8 15.77 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 120.946 0.403 . . . . 0.0 109.945 169.6 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.93 40.23 1.68 Allowed Glycine 0 CA--C 1.544 1.866 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 169.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -39.92 60.6 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.782 0.433 . . . . 0.0 111.826 -172.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -146.65 160.54 41.02 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.499 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.11 90.55 0.55 Allowed 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 122.646 2.231 . . . . 0.0 112.096 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.5 m-85 -63.13 112.15 2.52 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.238 174.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.0 148.6 24.46 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.016 0.436 . . . . 0.0 111.12 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.7 t -67.25 153.0 44.73 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.775 173.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.99 -8.56 25.21 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.05 110.47 3.95 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 175.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -59.93 -25.62 65.3 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.986 -169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -83.74 8.89 13.19 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 120.546 0.212 . . . . 0.0 111.176 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.5 t -136.81 -81.43 0.38 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.673 0.389 . . . . 0.0 110.669 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 54.24 34.65 20.86 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 122.874 0.47 . . . . 0.0 111.657 -176.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 159.01 35.0 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 171.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -113.52 141.08 47.57 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.98 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 99.1 m-85 -130.3 148.82 52.17 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.8 p -99.19 21.83 11.31 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -161.81 150.8 15.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.415 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 p -63.93 -42.44 97.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.931 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -34.08 75.63 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.032 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -61.36 -48.9 79.17 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.0 tp -60.35 -49.86 75.9 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.828 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.91 -44.18 96.78 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.441 0.163 . . . . 0.0 111.056 -179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -57.72 -47.09 83.4 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.746 0.308 . . . . 0.0 110.247 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -60.48 -49.47 77.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.349 -178.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -54.7 -38.27 66.82 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.71 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -33.31 63.37 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.705 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.559 ' HD3' H5'' ' B' ' 129' ' ' ' DG' . 0.4 OUTLIER -58.91 -31.59 68.77 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.489 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -115.39 -5.13 12.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.0 p -102.25 -27.81 12.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.198 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.01 105.68 0.52 Allowed Glycine 0 N--CA 1.472 1.082 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -46.52 -79.03 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -169.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' H ' HG23 ' A' ' 64' ' ' VAL . 46.9 mmtt -144.04 80.66 12.23 Favored Pre-proline 0 CA--C 1.556 1.199 0 CA-C-O 120.615 0.245 . . . . 0.0 111.149 -171.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.2 -22.11 5.14 Favored 'Trans proline' 0 CA--C 1.552 1.412 0 C-N-CA 122.604 2.203 . . . . 0.0 113.324 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -83.41 94.46 7.99 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.531 0.205 . . . . 0.0 110.482 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -95.12 137.45 34.16 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.706 0.288 . . . . 0.0 111.279 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.76 147.43 53.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.411 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -85.7 -14.28 45.86 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -73.1 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.925 -172.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.21 -2.97 59.01 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.382 0.273 . . . . 0.0 111.25 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 61.72 24.53 14.62 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 122.721 0.409 . . . . 0.0 111.228 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -64.85 164.15 12.97 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -130.62 138.11 49.95 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.997 0.427 . . . . 0.0 111.0 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -135.1 167.14 21.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.353 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 p -102.55 -15.16 16.5 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.937 -173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -136.75 152.82 50.77 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 121.048 0.451 . . . . 0.0 111.128 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 p -72.96 -34.56 66.57 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.26 -35.02 79.47 Favored 'General case' 0 CA--C 1.561 1.366 0 CA-C-O 120.565 0.222 . . . . 0.0 110.591 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.3 m-70 -68.59 -45.31 72.34 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.635 172.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.15 -47.65 79.07 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.402 0.144 . . . . 0.0 110.967 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.68 -37.03 80.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 m -65.84 -49.6 67.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.664 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.58 -34.59 75.87 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.936 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.8 m -54.39 -41.22 69.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.889 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -62.29 -22.8 66.31 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.234 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -54.58 -36.22 64.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.696 0.284 . . . . 0.0 110.814 172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -86.9 -28.76 22.6 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.322 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.8 p -91.7 -6.4 52.08 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.75 9.37 55.88 Favored Glycine 0 CA--C 1.55 2.24 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.738 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.03 94.56 1.11 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -122.67 78.84 47.98 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.395 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -80.52 -18.63 9.37 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.783 2.322 . . . . 0.0 113.111 -174.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.21 81.09 8.96 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.758 0.313 . . . . 0.0 110.674 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.9 t -89.72 142.77 27.38 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.41 135.03 48.39 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.589 175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.15 7.99 29.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.198 -175.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -58.85 151.61 53.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.43 23.7 0.32 Allowed 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 123.038 2.492 . . . . 0.0 112.939 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.7 m -160.27 18.46 0.14 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.313 0.245 . . . . 0.0 111.038 177.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.3 t -150.09 152.68 35.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 120.805 0.336 . . . . 0.0 110.802 -179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -146.08 36.23 1.02 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.847 171.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 32.4 mtmm -71.17 166.38 21.61 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.281 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -128.79 144.81 51.26 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.13 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -133.73 155.75 49.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.52 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.15 3.92 44.13 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -134.27 134.77 42.3 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -57.11 -43.8 82.62 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.461 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -67.3 -33.47 75.35 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.581 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -60.66 -42.07 96.31 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.278 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -65.73 -42.62 90.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.881 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.1 -47.23 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.157 175.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -61.47 -46.77 88.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.766 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.413 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 75.2 t60 -55.76 -49.84 72.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.677 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -56.76 -38.17 72.07 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.914 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -18.68 63.62 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 120.524 0.202 . . . . 0.0 111.095 -178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.2 mtt -103.76 -1.6 27.69 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.036 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.344 0.334 0 CA-C-O 120.599 0.238 . . . . 0.0 111.091 -171.707 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.918 0 C3'-C2'-C1' 99.218 -2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.523 0 P-O3'-C3' 122.649 2.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.516 1 C3'-C2'-C1' 95.888 -4.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C4'-C3' 109.517 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.398 0 O4'-C1'-C2' 103.212 -2.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.559 H5'' ' HD3' ' A' ' 60' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.386 0 P-O3'-C3' 122.122 2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.47 0 P-O3'-C3' 123.903 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 P-O3'-C3' 122.36 2.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C4'-C3' 108.829 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.148 0 C2'-C3'-O3' 117.283 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.306 1 C5'-C4'-C3' 106.876 -5.216 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C1'-C2' 102.616 -3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 P-O3'-C3' 123.877 3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.123 0 P-O3'-C3' 123.751 3.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.558 2.973 0 O5'-C5'-C4' 114.38 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 1 P-O3'-C3' 127.277 6.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 P-O3'-C3' 124.336 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.126 0 O4'-C4'-C3' 108.563 2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.818 1 O4'-C4'-C3' 109.717 4.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 0 O4'-C4'-C3' 109.578 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.453 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 P--O3' 1.642 2.882 0 O4'-C4'-C3' 109.407 3.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.453 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.564 1 O3'-P-O5' 95.714 -4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 P-O3'-C3' 123.698 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.026 1 O4'-C4'-C3' 110.6 5.0 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 123.994 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.633 2.194 0 C5'-C4'-C3' 110.416 -2.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.588 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.548 0 O4'-C4'-C3' 108.617 3.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.588 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.41 -3.3 0 C3'-C2'-C1' 98.532 -2.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 120.759 0.314 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -59.76 -26.56 65.79 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.421 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -73.53 -22.57 60.06 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -80.41 49.61 1.17 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 120.894 0.378 . . . . 0.0 110.73 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -146.82 90.84 5.37 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 19' ' ' PHE . 70.0 Cg_endo -76.26 -13.98 18.66 Favored 'Trans proline' 0 CA--C 1.549 1.261 0 C-N-CA 122.576 2.184 . . . . 0.0 113.148 -177.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -98.78 154.84 17.7 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.574 0.226 . . . . 0.0 110.79 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.6 158.61 44.03 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.818 0.342 . . . . 0.0 110.607 169.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -74.27 144.08 44.77 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.986 174.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.22 -2.79 58.08 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.568 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 58.5 t80 -79.02 127.99 77.78 Favored Pre-proline 0 CA--C 1.554 1.118 0 CA-C-O 120.64 0.257 . . . . 0.0 110.479 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.08 -12.47 32.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.679 2.252 . . . . 0.0 113.094 -174.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.25 7.31 72.34 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.133 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -134.59 -72.18 0.48 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.367 0.267 . . . . 0.0 110.765 -175.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 45.25 32.17 0.93 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.001 0.52 . . . . 0.0 111.645 -176.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -79.77 175.4 10.65 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -113.77 151.31 32.17 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.14 0.495 . . . . 0.0 111.415 -173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.691 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -139.59 161.23 38.0 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.384 -176.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 50.3 t80 -107.91 -45.5 3.97 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.313 -175.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 85.5 mttt -92.91 117.95 30.6 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.2 tp -45.14 -47.94 12.21 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.728 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -67.86 -45.85 73.41 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.669 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.436 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -62.95 -30.42 71.55 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 -179.063 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.691 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.27 -39.44 65.38 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.099 170.021 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -38.83 77.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.64 80.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.673 174.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.97 -39.87 79.21 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 120.643 0.259 . . . . 0.0 110.616 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -59.27 -35.08 73.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.788 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -38.26 69.2 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.48 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -45.53 80.39 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.602 0.239 . . . . 0.0 110.842 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 42.3 m-70 -75.94 -21.29 57.19 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -51.03 -33.57 25.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.68 31.12 9.09 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 116.446 -0.343 . . . . 0.0 112.541 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -126.54 18.12 7.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.707 0.253 . . . . 0.0 110.943 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -94.31 106.7 24.64 Favored Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -73.62 81.52 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.439 -176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.728 ' HB3' HD22 ' A' ' 54' ' ' LEU . 55.7 m-85 -77.39 159.71 29.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.452 173.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -132.67 150.08 52.21 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.74 138.69 56.97 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 120.893 0.378 . . . . 0.0 110.769 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -98.66 8.71 44.61 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.019 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -70.73 159.46 34.46 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.118 0.485 . . . . 0.0 111.094 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -63.94 -37.21 86.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.404 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -128.58 62.61 1.46 Allowed 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.896 0.379 . . . . 0.0 110.853 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 33.9 t -147.61 171.7 15.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.592 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -157.65 15.46 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.895 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -76.57 145.61 38.88 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 120.757 0.313 . . . . 0.0 110.369 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.61 149.24 40.03 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.129 0.49 . . . . 0.0 110.853 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 93.0 m-85 -130.96 164.66 24.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.2 p -103.68 -9.9 18.78 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.58 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtm-85 -138.89 156.0 47.63 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-O 121.004 0.43 . . . . 0.0 110.941 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -40.52 85.65 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.65 176.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -69.31 -34.46 74.71 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.36 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -64.85 -46.58 81.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.692 0.282 . . . . 0.0 110.387 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -62.13 -46.5 88.74 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.794 174.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.61 -42.4 88.1 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.449 0.166 . . . . 0.0 110.893 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -61.08 -47.49 86.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.713 0.292 . . . . 0.0 110.341 173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.4 t60 -60.64 -45.29 94.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.764 -178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -53.5 -38.27 63.55 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.06 173.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -33.28 66.45 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.842 -0.163 . . . . 0.0 111.202 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -63.44 -36.67 84.51 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 120.517 0.199 . . . . 0.0 111.069 175.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -84.21 -33.36 24.16 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.138 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.9 p -88.0 -23.87 23.69 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.284 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.48 7.25 63.93 Favored Glycine 0 CA--C 1.547 2.041 0 C-N-CA 121.587 -0.339 . . . . 0.0 113.207 172.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.6 t -52.5 -50.74 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 116.973 0.386 . . . . 0.0 111.225 -174.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 50.77 66.07 5.94 Favored Pre-proline 0 CA--C 1.559 1.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.11 -19.68 22.54 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.744 2.296 . . . . 0.0 113.333 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' HB3' HD13 ' A' ' 82' ' ' LEU . 94.3 m-85 -81.85 91.7 6.57 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.767 0.318 . . . . 0.0 110.393 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -91.96 135.97 33.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.721 0.296 . . . . 0.0 110.673 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.68 135.35 55.79 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.472 174.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -19.69 65.8 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.279 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -76.53 0.53 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.009 -171.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.3 p -86.7 -5.02 59.24 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.504 0.192 . . . . 0.0 111.374 -175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 66.94 19.49 10.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.776 0.431 . . . . 0.0 111.409 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.29 140.5 58.5 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 172.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -105.5 132.59 51.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.647 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -128.8 156.26 43.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.449 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -100.01 -0.81 38.5 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.441 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -138.8 135.75 34.95 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.918 0.39 . . . . 0.0 110.872 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 p -64.22 -32.08 73.52 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.136 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -68.15 -34.95 77.28 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.09 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -69.8 -40.86 75.72 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.851 -0.159 . . . . 0.0 110.626 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.0 tt -66.58 -44.71 81.49 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.479 0.18 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -62.0 -36.25 80.97 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.1 m -68.24 -49.52 60.12 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.631 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -64.64 -30.12 71.13 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -54.23 -40.81 68.03 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.787 0.435 . . . . 0.0 110.8 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -61.96 -23.14 66.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.039 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.0 m -58.07 -42.79 86.27 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.767 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -86.7 -24.34 25.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.3 m -91.73 -6.2 52.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.472 -171.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.42 56.69 Favored Glycine 0 CA--C 1.545 1.942 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.242 -177.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -85.28 108.64 17.88 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.876 0.369 . . . . 0.0 111.042 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.54 85.48 60.22 Favored Pre-proline 0 N--CA 1.473 0.723 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.359 175.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.0 -18.33 3.6 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 122.777 2.318 . . . . 0.0 112.965 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.3 m-85 -83.51 79.92 9.27 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.898 0.38 . . . . 0.0 110.956 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.4 t -78.85 146.1 33.84 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.63 176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' HD11 ' A' ' 112' ' ' LEU . 13.4 t -70.38 161.14 31.02 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.31 171.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -124.04 1.58 8.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.859 -175.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -61.64 147.18 89.15 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.812 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.51 27.05 0.35 Allowed 'Trans proline' 0 CA--C 1.552 1.375 0 C-N-CA 123.103 2.535 . . . . 0.0 112.953 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.2 m -164.58 35.93 0.07 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.421 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 47.3 t -136.35 168.51 19.29 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.262 0.554 . . . . 0.0 111.315 -176.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.28 24.18 0.13 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.192 175.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -92.94 148.34 22.09 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.497 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -128.54 152.61 48.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.043 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.3 159.57 37.5 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.06 -5.26 50.83 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.278 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -135.62 144.47 46.11 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.161 0.505 . . . . 0.0 111.017 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 12.9 p -58.25 -48.01 81.75 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.694 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -64.1 -33.75 76.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.315 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.75 -43.77 97.53 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' ' 97' ' ' CYS . 65.8 tp -65.75 -39.83 91.49 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.053 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.8 t -58.29 -45.87 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 175.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.74 -46.55 89.15 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.636 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -54.29 -50.03 68.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.538 0.209 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -56.7 -38.57 72.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.894 176.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -17.66 63.64 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.035 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.4 mtp -107.25 3.99 26.11 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 122.423 0.289 . . . . 0.0 110.931 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.63 0.252 . . . . 0.0 111.001 -172.455 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.147 0 O4'-C4'-C3' 109.328 3.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 P-O3'-C3' 122.495 2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.384 -3.615 1 O4'-C1'-C2' 100.609 -4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.462 1 O4'-C4'-C3' 109.727 4.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.448 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.405 -3.741 0 C2'-C3'-O3' 119.493 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.457 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 4 C5'--C4' 1.569 7.227 0 C2'-C3'-O3' 118.141 2.793 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.657 4.199 0 O3'-P-O5' 97.775 -3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.596 2 O4'-C4'-C3' 110.218 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C4'-C3' 109.39 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.509 -1.898 0 O3'-P-O5' 98.192 -3.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.403 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.553 5.308 2 C5'-C4'-C3' 105.572 -6.085 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.403 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.421 0 O4'-C4'-C3' 109.274 3.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.293 0 O4'-C4'-C3' 108.516 2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 2 O4'-C4'-C3' 110.326 4.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 C3'-C2'-C1' 106.414 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.692 1 P-O3'-C3' 124.8 4.25 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.81 1 O5'-C5'-C4' 117.958 5.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.884 1 C5'-C4'-C3' 108.638 -4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.088 0 P-O3'-C3' 123.047 2.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.666 1 O4'-C4'-C3' 111.1 5.5 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 2.716 0 O3'-P-O5' 98.601 -2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.349 1 P-O3'-C3' 125.253 4.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O3'-P-O5' 100.28 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.42 3 O4'-C1'-C2' 99.017 -6.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.365 0 O3'-P-O5' 98.011 -3.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.548 4.613 2 O4'-C1'-C2' 99.678 -5.838 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.573 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 1 P--O5' 1.643 4.964 0 O4'-C4'-C3' 108.994 3.394 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.573 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.548 4.566 0 O3'-P-O5' 97.813 -3.256 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.703 0 CA-C-O 120.589 0.233 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -61.66 -15.7 42.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.315 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -73.68 -16.71 61.2 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.892 -178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -74.86 74.69 2.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.872 0.368 . . . . 0.0 110.229 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -59.93 -52.18 75.42 Favored Pre-proline 0 CA--C 1.561 1.394 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.533 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.73 127.27 9.41 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 122.135 1.89 . . . . 0.0 112.773 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.25 169.29 11.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.972 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 99.0 mtp -136.29 158.71 43.77 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 169.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -75.09 144.9 42.69 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.891 174.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.37 0.26 53.36 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.42 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 52.8 t80 -83.23 124.93 75.64 Favored Pre-proline 0 CA--C 1.552 1.039 0 O-C-N 122.399 -0.188 . . . . 0.0 110.72 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.59 -25.63 50.96 Favored 'Trans proline' 0 C--N 1.364 1.348 0 C-N-CA 122.921 2.414 . . . . 0.0 113.451 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.34 1.12 85.99 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 121.37 -0.443 . . . . 0.0 112.582 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.6 t -127.93 -77.58 0.57 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.488 0.315 . . . . 0.0 110.608 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.15 26.94 14.33 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -85.62 -176.82 6.22 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.77 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 148.34 34.31 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.092 0.472 . . . . 0.0 111.31 -171.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.732 ' CD2' HD23 ' A' ' 24' ' ' LEU . 67.2 m-85 -133.83 170.08 16.11 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.991 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -124.0 -4.62 8.0 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.595 -174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -141.72 127.42 19.14 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.589 0.233 . . . . 0.0 110.658 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.65 -50.1 55.34 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.965 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 p -68.07 -45.88 72.61 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.649 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -31.64 72.95 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 120.672 0.272 . . . . 0.0 110.41 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.17 -38.75 66.08 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.171 170.012 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.0 -38.51 79.37 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 120.702 0.287 . . . . 0.0 110.359 174.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.6 tpt -65.03 -46.49 81.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.652 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.1 -35.64 71.72 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 176.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 m -59.2 -34.51 72.24 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.71 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.524 HH22 ' N4 ' ' C' ' 138' ' ' ' DC' . 14.1 mmp_? -55.25 -38.18 68.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.925 -0.125 . . . . 0.0 110.737 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.44 -42.01 77.41 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 116.693 -0.231 . . . . 0.0 110.701 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 66.2 m-70 -88.58 -21.21 24.16 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.796 -175.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -13.29 1.4 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.738 0.415 . . . . 0.0 111.696 -175.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.53 38.0 1.95 Allowed Glycine 0 CA--C 1.542 1.777 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -127.04 11.18 7.03 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -86.05 120.03 72.21 Favored Pre-proline 0 CA--C 1.55 0.952 0 O-C-N 122.227 -0.296 . . . . 0.0 110.59 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.34 104.94 1.77 Allowed 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.638 2.225 . . . . 0.0 112.57 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 54' ' ' LEU . 75.7 m-85 -101.93 165.4 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.76 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -132.42 150.72 52.1 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.68 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.55 136.09 32.97 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 120.917 0.389 . . . . 0.0 111.129 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -75.63 -11.17 59.96 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.267 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -70.41 123.06 20.83 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.86 0.362 . . . . 0.0 110.477 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 8.3 0.66 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -171.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -132.98 10.38 4.22 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 122.131 0.172 . . . . 0.0 111.328 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.0 t -109.36 156.64 19.76 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 121.044 0.45 . . . . 0.0 110.987 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 29.91 3.89 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.722 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -90.16 146.85 23.97 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.245 178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.46 149.9 50.38 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.804 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 77.2 m-85 -132.64 164.62 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.654 -174.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 p -105.38 -5.81 20.1 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.496 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -144.15 150.11 37.55 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 110.987 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -40.61 74.85 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.37 -37.68 83.56 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.292 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.47 -47.85 83.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.672 0.272 . . . . 0.0 110.337 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -61.89 -47.05 86.71 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -59.08 -40.2 84.5 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.136 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -65.88 -43.85 87.07 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 81.2 t60 -60.77 -39.04 87.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.02 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -53.33 -38.22 63.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.184 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HE ' ' CG1' ' A' ' 64' ' ' VAL . 7.9 mmp_? -55.35 -33.24 63.22 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 120.443 0.163 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.91 -36.81 84.6 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.344 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -86.71 -34.99 19.52 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 120.638 0.256 . . . . 0.0 111.044 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.3 p -83.24 -21.78 33.28 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.204 -177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.01 -2.14 44.24 Favored Glycine 0 CA--C 1.544 1.859 0 C-N-CA 121.784 -0.246 . . . . 0.0 112.977 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.423 ' CG1' ' HE ' ' A' ' 59' ' ' ARG . 8.3 p -69.98 147.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.118 0.485 . . . . 0.0 111.123 -174.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -130.95 82.08 65.11 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.186 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -66.19 -23.88 52.1 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.801 2.334 . . . . 0.0 113.562 -169.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.804 ' HB3' HD13 ' A' ' 82' ' ' LEU . 47.0 m-85 -95.68 127.51 41.77 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -176.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -124.1 137.84 54.51 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.844 0.354 . . . . 0.0 111.187 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.3 t -69.33 144.85 53.39 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.713 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 -9.84 55.55 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 175.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -66.09 0.94 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.946 -172.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.81 -8.33 49.92 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.549 0.214 . . . . 0.0 111.106 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.79 20.06 10.65 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -80.79 155.97 26.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 120.596 0.236 . . . . 0.0 110.534 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -114.39 146.85 40.07 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.097 0.475 . . . . 0.0 111.318 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -136.22 158.62 43.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.99 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.9 m -98.13 4.77 49.05 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.619 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.25 140.58 39.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.723 0.296 . . . . 0.0 110.999 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.5 t -64.93 -34.77 79.2 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.901 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -70.49 -35.42 73.25 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.477 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.521 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 62.4 m170 -76.81 -36.03 57.19 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.641 175.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 67' ' ' PHE . 3.7 tt -66.08 -47.14 75.24 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.406 0.145 . . . . 0.0 110.672 175.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.61 -36.43 83.79 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.708 0.29 . . . . 0.0 110.648 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -63.76 -49.39 73.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.629 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.446 ' O ' ' HB ' ' A' ' 88' ' ' THR . 54.0 t60 -63.67 -30.99 72.03 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.057 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.9 m -60.64 -41.49 95.04 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.202 -0.311 . . . . 0.0 110.374 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -65.29 -23.15 66.95 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.951 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 64.2 m -70.65 -31.84 68.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 116.858 -0.156 . . . . 0.0 110.756 175.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.97 -23.1 27.03 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.62 0.247 . . . . 0.0 110.847 174.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.0 m -91.81 -6.11 52.26 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.109 -175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.63 16.27 50.24 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.271 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.82 98.18 5.49 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.903 0.382 . . . . 0.0 110.589 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -118.56 82.61 19.9 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -83.36 -16.6 6.94 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.761 2.307 . . . . 0.0 113.006 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 109' ' ' SER . 92.5 m-85 -84.08 76.79 10.04 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.828 0.347 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 p -82.17 144.74 30.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.446 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.6 t -70.44 161.12 31.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -113.2 -4.45 13.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.095 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -67.21 134.64 93.48 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.51 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.66 37.86 0.59 Allowed 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 123.026 2.484 . . . . 0.0 113.003 -171.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.6 m -165.62 35.38 0.06 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.261 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 t -147.93 -87.13 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.186 -170.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.91 27.46 16.83 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.538 -173.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.06 158.93 35.05 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -128.43 148.82 50.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.011 0.434 . . . . 0.0 111.535 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -132.9 160.1 38.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.576 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.51 2.06 47.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.022 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -135.68 136.22 40.72 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.97 0.415 . . . . 0.0 110.655 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.407 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 30.3 t -57.04 -45.21 83.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.553 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.01 -33.49 75.67 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -60.52 -42.47 96.51 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 173.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 97' ' ' CYS . 67.7 tp -66.66 -40.23 88.56 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.013 175.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.22 -44.01 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 120.67 0.272 . . . . 0.0 110.272 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -62.79 -46.65 87.02 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.656 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -54.31 -48.87 70.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.786 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -56.78 -39.78 74.69 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.012 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -71.79 -15.63 62.16 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 120.497 0.189 . . . . 0.0 111.175 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.9 mtt -107.98 8.42 28.38 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.441 0.296 . . . . 0.0 110.873 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.345 0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.014 -173.754 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.695 0 C5'-C4'-C3' 111.038 -2.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.362 1 C4'-C3'-C2' 107.668 4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . 0.412 " H1'" ' C8 ' ' B' ' 127' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.874 1 P-O3'-C3' 125.918 5.181 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . 0.412 ' C8 ' " H1'" ' B' ' 126' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.556 5.586 0 P-O3'-C3' 123.31 3.008 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.755 0 C3'-C2'-C1' 98.038 -3.33 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.521 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 P--O5' 1.645 5.204 3 C4'-C3'-C2' 97.671 -5.529 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.388 -5.305 3 C4'-C3'-C2' 96.107 -7.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.543 2 C5'-C4'-O4' 116.563 4.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.642 2.955 3 O4'-C1'-C2' 99.226 -6.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.472 ' C8 ' ' H72' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O3'-P-O5' 98.473 -2.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.472 ' H72' ' C8 ' ' B' ' 133' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.605 11.745 2 C5'-C4'-C3' 108.305 -4.263 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.456 ' C4 ' ' C2 ' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.554 5.416 0 O5'-C5'-C4' 115.112 3.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.293 1 O3'-P-O5' 90.946 -6.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.139 2 P-O3'-C3' 126.694 5.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . 0.524 ' N4 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.562 0 O4'-C4'-C3' 109.358 3.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.56 0 P-O3'-C3' 123.906 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.919 1 O5'-C5'-C4' 116.06 4.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 1 O4'-C1'-C2' 101.69 -4.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.635 0 O3'-P-O5' 96.78 -3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.795 1 C5'-C4'-C3' 105.316 -6.256 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.549 4.732 1 P-O3'-C3' 126.21 5.425 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.162 1 O5'-C5'-C4' 117.405 5.147 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 7.741 1 P-O3'-C3' 126.352 5.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.41 0 O3'-P-O5' 96.493 -3.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.15 1 P-O3'-C3' 124.839 4.283 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 O4'-C4'-C3' 108.907 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.613 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.847 1 O4'-C4'-C3' 111.122 5.522 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.613 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.398 -2.647 0 O4'-C4'-C3' 108.439 2.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 p -67.78 -14.65 63.13 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.536 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -89.13 -34.18 16.81 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.513 0.197 . . . . 0.0 110.999 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -166.95 155.77 10.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.468 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ptt85 -64.49 153.52 86.61 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.67 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -76.64 177.02 9.35 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 122.608 2.206 . . . . 0.0 112.404 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -130.17 164.01 25.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.39 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -136.49 158.6 44.06 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.5 t -72.66 146.18 46.73 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 121.024 0.44 . . . . 0.0 111.1 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.8 -7.4 43.49 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.693 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -76.66 121.07 84.2 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 122.304 -0.247 . . . . 0.0 110.747 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -66.04 101.99 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.664 2.243 . . . . 0.0 112.044 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.7 -34.21 2.19 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.657 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.1 t -93.32 -79.25 0.41 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 170.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 m120 49.19 31.79 3.82 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.275 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -79.34 166.74 21.76 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -98.75 159.49 14.92 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.499 0.666 . . . . 0.0 111.719 -170.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.742 ' CD2' HD23 ' A' ' 24' ' ' LEU . 72.0 m-85 -144.74 170.3 16.37 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.613 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -120.44 -47.33 2.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.562 0.22 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 71.7 mmtt -86.52 121.39 28.99 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.553 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.691 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.05 -45.44 32.26 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.76 175.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' HD22 ' A' ' 21' ' ' LEU . 18.9 p -68.2 -46.1 71.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -66.45 -30.16 70.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.342 -177.006 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.43 -39.1 65.27 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.295 169.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -58.28 -38.54 77.2 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 174.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -46.56 70.88 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 174.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.02 -39.48 78.46 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.017 0.437 . . . . 0.0 110.365 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -59.29 -34.89 72.83 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.837 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.9 ttp85 -55.7 -38.43 69.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.85 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -56.48 -42.3 78.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.596 0.236 . . . . 0.0 110.57 177.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -82.42 -21.48 35.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.401 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -24.03 67.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.06 11.21 69.63 Favored Glycine 0 CA--C 1.543 1.789 0 CA-C-N 116.358 -0.383 . . . . 0.0 112.354 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -124.46 4.45 8.35 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.613 0.365 . . . . 0.0 111.123 -178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 115.51 42.78 Favored Pre-proline 0 CA--C 1.55 0.979 0 CA-C-O 120.497 0.189 . . . . 0.0 110.573 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.03 108.24 2.41 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.586 2.191 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.776 ' HB3' HD22 ' A' ' 54' ' ' LEU . 66.9 m-85 -110.35 160.07 16.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.642 173.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -132.47 145.34 51.11 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.01 132.15 46.44 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.869 0.366 . . . . 0.0 110.663 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.06 -2.94 50.2 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.247 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.63 119.84 13.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 173.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 mmpt? -64.99 -5.84 7.18 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -169.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -121.08 10.13 10.68 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 122.129 0.171 . . . . 0.0 111.318 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.4 t -99.88 170.93 8.18 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 110.695 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -151.31 34.56 0.57 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.709 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -108.84 142.93 38.71 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.912 0.387 . . . . 0.0 110.677 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -121.81 148.13 45.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 84.3 m-85 -126.25 164.63 20.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.301 -177.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -106.38 2.11 26.25 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.612 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -153.57 152.77 31.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.216 0.532 . . . . 0.0 111.198 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -42.09 84.79 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.007 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -34.15 74.07 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.305 -176.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -62.86 -48.39 79.21 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.667 0.27 . . . . 0.0 110.344 174.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.2 tp -62.26 -49.83 74.12 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.863 177.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -57.05 -44.14 82.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.575 0.226 . . . . 0.0 110.881 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -58.67 -45.71 88.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.402 173.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 72.6 t60 -60.61 -36.85 79.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.934 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -53.36 -38.21 63.11 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.825 -0.17 . . . . 0.0 111.29 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -33.14 63.19 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 122.359 -0.213 . . . . 0.0 110.929 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.72 -37.41 81.64 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.428 0.156 . . . . 0.0 111.176 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -87.59 -38.51 15.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.645 0.259 . . . . 0.0 111.083 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -78.44 -20.69 50.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.181 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.96 -0.66 71.71 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 116.603 -0.271 . . . . 0.0 112.631 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.76 124.26 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 120.946 0.403 . . . . 0.0 110.948 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -119.29 87.59 35.78 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.919 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.52 -17.49 7.43 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.578 2.185 . . . . 0.0 113.226 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -87.71 90.37 8.35 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.729 0.299 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -97.22 140.78 31.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.806 0.336 . . . . 0.0 110.995 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.43 140.41 55.78 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.985 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -12.77 58.58 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.941 174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -63.81 1.12 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.2 p -98.58 -4.16 34.71 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.539 0.209 . . . . 0.0 111.44 -175.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 60.86 21.07 11.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.786 0.434 . . . . 0.0 111.607 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.2 tpt85 -73.43 146.29 45.16 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.363 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -100.93 148.17 25.31 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 110.907 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -140.08 156.16 46.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.984 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 p -99.38 -8.78 24.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.695 -174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -136.82 141.7 42.88 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.869 0.366 . . . . 0.0 110.956 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 p -64.74 -32.74 74.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.226 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -66.51 -36.42 82.68 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.074 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.511 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 67.7 m170 -75.21 -36.5 61.38 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.895 176.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.9 tt -65.72 -47.55 74.95 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.461 0.172 . . . . 0.0 110.555 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.4 -34.41 77.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.636 0.255 . . . . 0.0 110.641 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 m -66.8 -49.56 65.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.718 0.294 . . . . 0.0 110.584 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.64 -31.89 73.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -54.26 -41.01 68.31 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 122.722 0.409 . . . . 0.0 110.79 176.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -62.11 -23.11 66.34 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.997 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 m -59.05 -44.72 91.84 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.657 0.265 . . . . 0.0 110.917 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -82.47 -22.48 35.16 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.706 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.8 -6.26 52.03 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.253 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.97 20.18 57.43 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.44 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 102.21 14.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -171.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -123.77 87.83 52.45 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.39 -15.91 3.36 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.752 2.301 . . . . 0.0 112.961 -174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -85.6 76.57 9.98 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 79.9 p -78.95 145.58 33.92 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 18.8 t -70.28 161.19 30.81 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 172.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.92 5.55 7.3 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -59.7 148.48 75.12 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-O 120.714 0.293 . . . . 0.0 110.627 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.51 27.45 0.31 Allowed 'Trans proline' 0 CA--C 1.553 1.434 0 C-N-CA 123.031 2.487 . . . . 0.0 113.316 -169.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.7 m -164.21 20.55 0.06 Allowed 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.824 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.554 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 24.9 t -118.69 168.88 10.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.331 0.586 . . . . 0.0 111.628 -174.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -161.16 15.95 0.11 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.177 178.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.554 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 26.6 mtmm -85.5 147.97 26.19 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -172.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -128.6 148.63 50.8 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.08 -173.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -129.59 159.43 36.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.606 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.46 -1.5 50.71 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -133.7 137.88 45.52 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.936 0.398 . . . . 0.0 110.698 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -57.25 -45.97 83.46 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.576 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.84 -33.5 75.73 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.631 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -60.7 -43.11 98.19 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 172.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.95 -40.34 91.26 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.026 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.17 -44.47 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-O 120.675 0.274 . . . . 0.0 110.346 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -62.33 -46.64 87.81 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.595 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -54.32 -49.25 70.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.716 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.67 -40.17 75.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.025 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -72.0 -15.62 62.06 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.471 0.177 . . . . 0.0 111.139 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.5 mtt -108.09 7.11 27.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.401 0.28 . . . . 0.0 110.828 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.686 0.279 . . . . 0.0 110.959 -173.65 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 C5'-C4'-C3' 111.209 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 0 O4'-C4'-C3' 107.809 2.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.648 0 C1'-O4'-C4' 104.176 -3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 2 O4'-C4'-C3' 111.193 5.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.263 1 O4'-C4'-C3' 110.047 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.511 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.405 -3.71 0 O3'-P-O5' 97.747 -3.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 C5'-C4'-C3' 106.515 -5.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.968 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O3'-P-O5' 96.273 -4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 1 C5'-C4'-C3' 108.577 -4.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.584 4 C5'-C4'-C3' 106.604 -5.397 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.541 3 O4'-C4'-C3' 111.511 5.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.57 5.205 1 O3'-P-O5' 95.864 -4.282 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -4.964 2 O4'-C4'-C3' 113.671 8.071 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' C' C ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.478 1 O5'-C5'-C4' 116.716 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 139' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.16 1 P-O3'-C3' 125.092 4.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 140' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.672 1 O5'-C5'-C4' 116.316 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 141' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.636 1 P-O3'-C3' 125.506 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.777 0 P-O3'-C3' 123.386 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.63 1 O4'-C4'-C3' 109.834 4.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.407 H2'' ' C6 ' ' C' ' 145' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.401 -2.438 1 P-O3'-C3' 124.734 4.195 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 145' ' ' ' DC' . . . . . 0.407 ' C6 ' H2'' ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.125 0 O4'-C4'-C3' 108.26 2.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 146' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.215 0 O4'-C1'-C2' 102.628 -3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 147' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.7 0 O4'-C4'-C3' 108.954 3.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 1 P-O3'-C3' 125.367 4.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.816 0 O4'-C4'-C3' 109.257 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.525 H2'' ' C8 ' ' C' ' 151' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.551 2.277 1 O4'-C4'-C3' 110.63 5.03 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 151' ' ' ' DG' . . . . . 0.525 ' C8 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.302 0 P-O3'-C3' 123.683 3.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_