data_7jnn_residue ############################ # Computer software used # ############################ 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 7jnn _Structure_validation_residue.Date_analyzed 2020-09-04 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 ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 N--CA 1.432 -1.33 0 CA-C-O 121.497 0.665 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -110.22 105.65 14.79 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -93.31 96.44 9.97 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 126.54 8.12 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.402 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . 24.4 tptm -65.71 142.96 57.83 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 124.432 1.093 . . . . 0.0 109.393 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -72.98 111.88 8.5 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 m -74.68 83.47 2.09 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-O 121.645 0.736 . . . . 0.0 112.846 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' HB2' ' HZ1' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -110.53 8.5 23.0 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.001 171.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -88.54 103.92 16.34 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -77.36 138.8 39.53 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.393 0.616 . . . . 0.0 110.415 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -141.59 150.99 42.76 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.79 -74.06 0.51 Allowed Glycine 0 C--N 1.315 -0.609 0 O-C-N 123.524 0.515 . . . . 0.0 113.405 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -113.38 138.63 49.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.29 129.13 36.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 120.916 0.389 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -137.02 129.1 29.43 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -50.74 -54.09 26.19 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.505 0.722 . . . . 0.0 112.394 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 64.5 tttm -61.02 -46.86 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.948 0.404 . . . . 0.0 111.033 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -71.12 -30.32 66.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.679 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.95 -44.51 84.8 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.5 -52.52 65.3 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.542 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 27.9 m-70 -57.14 -51.86 67.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.812 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.73 -55.53 33.93 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.514 0.509 . . . . 0.0 111.054 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -56.16 -42.2 76.64 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 54.4 ttm -61.27 -48.43 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.297 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -71.52 -39.42 70.76 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.054 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.52 -56.34 11.28 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 124.775 1.23 . . . . 0.0 113.3 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -139.4 25.66 2.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 54.83 59.32 4.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.697 1.237 . . . . 0.0 109.659 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.84 147.89 24.16 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 31' ' ' LYS . 9.9 mmpt? -70.41 -41.03 73.51 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.943 0.878 . . . . 0.0 109.118 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -160.41 167.92 26.29 Favored 'General case' 0 N--CA 1.412 -2.338 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.462 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 140.64 11.92 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -130.87 147.13 52.49 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -96.01 118.91 33.55 Favored 'General case' 0 N--CA 1.416 -2.136 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 23.3 t -136.66 127.15 26.8 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 68.07 15.21 9.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.422 1.089 . . . . 0.0 110.337 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.08 17.36 74.64 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.589 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.89 150.26 40.17 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-O 121.161 0.505 . . . . 0.0 110.404 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -85.09 109.99 18.64 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 39.4 m-85 -103.08 121.15 42.01 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.216 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -89.79 131.72 35.59 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -111.54 126.77 55.34 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.567 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 6' ' ' LYS . 39.6 m-85 -107.7 179.5 4.21 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.464 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -126.33 109.59 12.42 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 C--N 1.298 -1.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.855 -178.572 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.299 0.571 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -85.83 143.35 28.32 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.7 m -120.64 112.82 19.37 Favored 'General case' 0 C--N 1.28 -2.428 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.841 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.31 117.31 4.5 Favored Glycine 0 N--CA 1.423 -2.228 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -74.94 120.0 19.87 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 72.2 m80 -61.79 142.77 57.09 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.764 -172.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -71.22 147.83 47.86 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.942 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.04 -10.16 57.22 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m 71.14 175.58 0.29 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.84 1.256 . . . . 0.0 109.614 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.3 m95 66.54 20.81 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.344 0.658 . . . . 0.0 112.598 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.34 132.84 47.77 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -46.94 58.79 Favored Glycine 0 CA--C 1.503 -0.667 0 O-C-N 124.024 0.827 . . . . 0.0 112.267 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -150.61 135.71 17.69 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 172.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.11 88.98 6.43 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -77.58 150.32 34.73 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.855 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.22 -74.18 0.5 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -71.26 -41.64 69.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -62.91 -44.53 95.84 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.249 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.6 -33.66 66.87 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.21 -53.13 61.77 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.197 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -68.71 -31.81 71.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.916 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -60.46 -60.55 3.63 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.1 m -58.85 -42.02 88.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.555 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 53.1 ttp -61.0 -28.55 69.11 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.873 0.469 . . . . 0.0 112.241 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -103.62 -45.15 4.9 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.757 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -68.09 -45.42 73.8 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -113.7 0.84 14.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.983 0.421 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' ' 25' ' ' MET . 18.4 m-20 61.98 48.59 5.1 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.078 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.63 164.83 24.31 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.382 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -85.31 -43.66 13.52 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.52 149.03 20.11 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.56 138.51 15.03 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -133.28 152.42 51.93 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 117.38 0.59 . . . . 0.0 110.559 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.3 t -96.51 113.57 25.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 18.8 m -118.59 107.88 14.27 Favored 'General case' 0 N--CA 1.409 -2.498 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.723 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.95 18.19 11.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.125 0.97 . . . . 0.0 112.09 173.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 5.78 54.33 Favored Glycine 0 C--O 1.243 0.688 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.295 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.47 136.21 54.84 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 123.199 0.6 . . . . 0.0 109.866 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.48 120.53 27.91 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.277 0.561 . . . . 0.0 110.393 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 7' ' ' HIS . 41.9 m-85 -113.01 124.23 52.15 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.117 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.9 m -106.42 128.38 54.01 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.036 0.446 . . . . 0.0 110.57 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -100.46 130.53 46.55 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.791 -172.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -122.03 174.55 6.85 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.28 128.44 53.98 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.798 173.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 tptt . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.91 138.32 31.64 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.042 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.2 m -126.93 118.98 25.64 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.17 -171.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.0 117.24 4.37 Favored Glycine 0 N--CA 1.433 -1.528 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HD2' ' CD2' ' A' ' 44' ' ' TYR . 67.7 mttm -108.36 170.4 8.04 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 120.82 0.343 . . . . 0.0 110.379 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -72.48 132.42 43.83 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -75.92 157.6 33.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.705 0.288 . . . . 0.0 110.388 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -119.45 -13.45 9.23 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.593 0.711 . . . . 0.0 110.07 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -136.55 121.36 18.63 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -119.07 144.76 46.4 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.63 159.63 19.8 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -24.41 64.97 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 121.313 0.396 . . . . 0.0 113.633 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 87.1 tttt -144.43 156.57 44.26 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 t -81.48 81.46 7.59 Favored 'General case' 0 N--CA 1.413 -2.282 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.625 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 96.7 m-85 -83.09 101.77 11.38 Favored 'General case' 0 N--CA 1.415 -2.199 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -54.52 -50.73 67.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -171.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -71.78 -38.52 70.29 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -71.29 -49.62 40.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.905 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.23 -26.72 64.94 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.65 -59.35 4.83 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.676 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -72.71 -28.91 62.95 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.179 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -58.82 -57.28 13.73 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.53 -29.52 66.02 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 27.6 ttt -62.35 -37.71 86.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -85.9 -42.46 14.07 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.767 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -56.69 -59.47 4.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 124.339 1.056 . . . . 0.0 111.303 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -120.38 13.07 11.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 25' ' ' MET . 26.5 t70 59.69 35.14 22.26 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.62 1.2 . . . . 0.0 109.893 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 142.01 58.58 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -68.97 -42.29 76.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -165.35 133.94 3.26 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.126 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.56 135.05 12.06 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -138.37 156.26 47.77 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 122.334 -0.509 . . . . 0.0 110.649 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.47 119.71 24.55 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.651 0.739 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 45.0 m -133.65 117.71 17.32 Favored 'General case' 0 N--CA 1.409 -2.496 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 m170 72.98 5.42 5.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 125.073 1.349 . . . . 0.0 110.754 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.91 60.68 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -101.5 156.23 17.59 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.04 116.76 28.32 Favored 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.439 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 39.9 m-85 -111.81 134.15 53.56 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.202 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.12 119.5 31.3 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.787 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -98.79 126.66 44.49 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.475 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.459 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 85.0 m-85 -114.94 -170.96 1.85 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -120.19 134.03 55.35 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.261 1.688 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.773 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 N--CA 1.438 -1.054 0 CA-C-O 121.298 0.57 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.477 ' CD2' ' HE2' ' A' ' 32' ' ' TYR . 34.8 m80 -123.44 145.05 49.11 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.418 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 19.7 t -139.32 121.83 16.2 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 124.521 1.128 . . . . 0.0 109.258 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.19 112.13 4.23 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.689 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -106.78 152.16 24.22 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.64 126.25 29.09 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -70.56 116.2 10.62 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.352 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -78.53 -14.1 59.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.003 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.8 t -78.62 140.42 38.44 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -80.65 79.06 7.35 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.969 0.89 . . . . 0.0 110.909 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.46 78.26 1.25 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.984 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.79 45.61 Favored Glycine 0 N--CA 1.427 -1.943 0 CA-C-N 114.152 -1.385 . . . . 0.0 112.234 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.95 115.77 21.94 Favored 'General case' 0 N--CA 1.421 -1.899 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -83.55 98.11 9.4 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.601 -168.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.8 109.41 4.58 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -48.59 -50.23 33.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.277 0.631 . . . . 0.0 111.907 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -58.08 -44.25 87.47 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.519 . . . . 0.0 111.137 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -68.51 -53.75 21.23 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.537 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.8 m -62.64 -37.31 85.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.218 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -57.65 -59.21 5.55 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.925 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -71.24 -27.5 63.51 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.193 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.35 -61.62 2.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.351 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.25 -31.57 71.14 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.227 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.548 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 50.3 ttm -60.95 -38.24 85.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.887 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.53 -35.24 14.41 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.22 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -72.65 -60.54 2.18 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.89 15.19 16.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 25' ' ' MET . 7.1 m-20 52.65 58.88 4.91 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.694 -1.139 . . . . 0.0 113.189 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.09 164.43 15.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.038 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -73.06 -38.64 66.38 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' HE2' ' CD2' ' A' ' 3' ' ' HIS . 54.9 p90 -166.81 163.7 16.4 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.134 174.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.49 138.93 11.82 Favored Glycine 0 N--CA 1.428 -1.892 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -142.6 152.84 42.94 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 117.64 0.72 . . . . 0.0 111.082 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -83.09 120.65 26.03 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.956 0.884 . . . . 0.0 112.11 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -122.08 113.91 20.18 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-N 114.478 -1.237 . . . . 0.0 107.674 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 63.56 17.86 10.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.872 0.869 . . . . 0.0 113.208 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 15.36 39.95 Favored Glycine 0 C--O 1.219 -0.833 0 C-N-CA 119.695 -1.241 . . . . 0.0 112.792 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.13 153.69 51.66 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.5 m -104.02 117.67 34.85 Favored 'General case' 0 C--N 1.274 -2.711 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.609 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -93.23 151.88 19.54 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -100.24 124.45 45.71 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.688 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 50.7 m-85 -103.49 119.54 39.09 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-O 121.49 0.662 . . . . 0.0 110.694 -178.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -124.99 -157.44 0.78 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -112.96 138.68 49.46 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.301 -1.507 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 121.157 0.503 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -94.19 126.78 39.63 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.95 107.18 18.6 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.823 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.54 134.24 12.43 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.157 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.38 116.95 16.65 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.488 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 53.7 m80 -75.99 149.96 37.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.234 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -81.18 83.47 6.8 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.474 0.654 . . . . 0.0 109.806 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.0 -60.05 1.61 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -113.87 15.21 18.63 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.177 0.513 . . . . 0.0 111.347 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -118.05 94.82 4.65 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.098 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -114.2 155.27 26.41 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.062 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.73 -162.88 28.56 Favored Glycine 0 N--CA 1.424 -2.15 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 16' ' ' PHE . 86.8 tttt -86.23 142.38 28.63 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 21.1 t -81.86 95.99 7.49 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.788 0.804 . . . . 0.0 110.17 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.484 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 91.6 m-85 -95.6 107.61 19.81 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 175.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -51.51 -57.49 8.9 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.303 0.641 . . . . 0.0 112.612 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.94 -40.1 63.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.918 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.69 -42.33 82.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.524 -0.47 . . . . 0.0 112.034 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -68.87 -37.24 78.93 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -55.89 -54.43 44.72 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.463 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -71.56 -32.02 67.63 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -58.03 -52.93 63.5 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.41 -44.25 71.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.017 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.452 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 28.2 ttt -61.02 -45.36 95.11 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.858 0.463 . . . . 0.0 111.511 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.0 -56.91 4.03 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.21 -37.73 32.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -103.4 -2.49 26.89 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.541 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 25' ' ' MET . 28.2 t70 52.92 55.67 8.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 123.129 1.442 . . . . 0.0 110.71 -174.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.9 18.93 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.349 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -74.29 -56.19 5.17 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -151.19 138.36 19.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.97 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -106.2 116.65 5.18 Favored Glycine 0 N--CA 1.428 -1.897 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 m -113.1 172.02 7.19 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 t -107.29 124.18 49.41 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.5 m -112.73 98.03 6.95 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.421 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 53.9 35.68 22.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.127 0.971 . . . . 0.0 112.966 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.66 -2.32 49.19 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.239 -0.982 . . . . 0.0 113.851 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -118.77 141.49 48.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 117.414 0.607 . . . . 0.0 110.621 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 84.1 m -80.86 112.03 17.87 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.996 0.427 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 7' ' ' HIS . 9.5 m-85 -107.08 113.11 26.37 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.614 0.721 . . . . 0.0 111.067 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 55.6 m -99.12 115.94 30.19 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.785 -177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -93.75 126.1 38.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.082 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.06 175.64 5.41 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -91.63 133.28 35.7 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.359 -0.936 . . . . 0.0 108.775 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--N 1.293 -1.848 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.025 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -68.86 126.88 31.15 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 121.757 0.789 . . . . 0.0 109.281 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.35 105.57 16.2 Favored 'General case' 0 C--N 1.26 -3.288 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.13 127.32 8.5 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.659 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.67 128.55 56.42 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.417 ' CE1' ' HH ' ' A' ' 41' ' ' TYR . 4.2 t60 -72.27 118.81 15.61 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 40' ' ' CYS . 46.6 t -110.23 165.8 11.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.602 0.715 . . . . 0.0 111.683 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.91 -13.13 51.79 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 73.2 174.74 0.28 Allowed 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.844 1.258 . . . . 0.0 112.156 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -95.26 121.18 36.65 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.75 113.19 5.31 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.327 0.584 . . . . 0.0 110.201 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.58 -152.62 23.99 Favored Glycine 0 N--CA 1.422 -2.258 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -93.56 134.31 35.96 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.2 t -89.29 129.32 35.86 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.279 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.94 141.46 48.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.71 -54.08 50.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -64.58 -41.68 96.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.176 0.512 . . . . 0.0 110.839 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.87 -34.81 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.1 -41.01 95.34 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.85 -53.8 52.39 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.137 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.99 -38.26 90.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.43 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -59.51 -60.03 4.51 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 123.427 0.454 . . . . 0.0 110.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.69 -40.39 79.35 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.449 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 27.2 ttt -67.65 -43.74 79.55 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.898 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.46 -36.27 39.05 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.343 0.592 . . . . 0.0 111.021 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.91 -52.15 10.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.52 12.37 8.67 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.636 -0.826 . . . . 0.0 111.996 -172.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' MET . 33.0 t70 51.78 73.46 0.32 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 122.597 1.189 . . . . 0.0 111.37 -171.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.449 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -103.26 168.42 9.19 Favored 'General case' 0 C--N 1.274 -2.677 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HD2' ' HB3' ' A' ' 45' ' ' HIS . 27.8 mtpp -82.27 -35.03 28.47 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 121.554 0.693 . . . . 0.0 109.142 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -166.29 177.61 6.74 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.487 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.71 23.1 Favored Glycine 0 N--CA 1.417 -2.568 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -142.15 142.75 32.76 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 117.579 0.689 . . . . 0.0 109.696 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.53 118.18 26.83 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.441 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 37.9 t -116.86 109.02 16.55 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 65.97 13.87 9.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.866 0.866 . . . . 0.0 111.639 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 6.06 40.79 Favored Glycine 0 N--CA 1.434 -1.444 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.034 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -124.29 152.8 42.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.476 0.638 . . . . 0.0 110.374 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.1 m -79.9 127.26 32.03 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 20.6 m-85 -124.43 127.01 46.88 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 173.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -96.5 137.01 36.21 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.68 129.69 56.57 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.657 0.741 . . . . 0.0 111.785 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -116.98 -175.46 2.78 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.437 ' HB3' ' HD2' ' A' ' 31' ' ' LYS . 42.7 p-80 -100.55 134.19 43.88 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 m . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 123.516 0.726 . . . . 0.0 109.064 174.04 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 98.0 mttt . . . . . 0 N--CA 1.436 -1.171 0 CA-C-O 120.328 0.109 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -75.28 117.01 16.63 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -119.91 111.77 18.36 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.007 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.05 102.57 2.51 Favored Glycine 0 CA--C 1.487 -1.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.702 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.56 132.04 35.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 120.975 0.417 . . . . 0.0 110.379 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -78.35 103.54 8.36 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 170.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -62.06 168.18 3.44 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -53.19 -17.84 1.93 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t 73.45 94.21 0.08 Allowed 'General case' 0 C--O 1.241 0.658 0 CA-C-O 122.483 1.135 . . . . 0.0 112.002 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -113.6 101.29 9.19 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.71 74.25 4.3 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.149 -1.02 . . . . 0.0 113.718 -170.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.93 -77.53 1.17 Allowed Glycine 0 N--CA 1.423 -2.193 0 N-CA-C 105.306 -3.117 . . . . 0.0 105.306 168.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -147.16 133.92 20.04 Favored 'General case' 0 N--CA 1.411 -2.418 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.68 105.25 14.44 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 120.987 0.423 . . . . 0.0 109.977 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -104.33 113.15 26.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.28 -39.49 94.74 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 122.949 0.156 . . . . 0.0 111.172 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -66.49 -51.3 58.2 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 122.815 0.446 . . . . 0.0 110.415 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -60.39 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.716 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -59.56 -50.37 74.17 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 110.596 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.13 -29.09 57.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.92 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -59.75 -56.95 15.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.64 -44.79 92.83 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.16 -47.71 77.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.549 0.34 . . . . 0.0 111.595 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -83.18 -61.47 1.84 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.015 0.436 . . . . 0.0 111.095 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -68.97 -45.13 71.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -173.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.21 -5.53 40.22 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.98 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.3 t70 53.68 77.54 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.907 1.283 . . . . 0.0 110.191 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.04 173.69 8.53 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.402 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -83.74 -61.71 1.76 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.673 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.88 151.89 31.87 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.386 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.49 137.37 13.79 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 m -132.33 149.45 52.36 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 t -96.4 132.01 42.37 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -128.09 103.44 7.22 Favored 'General case' 0 N--CA 1.415 -2.186 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 66.01 4.16 2.92 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.552 1.141 . . . . 0.0 112.768 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.28 1.61 11.15 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.491 -0.862 . . . . 0.0 113.126 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.84 146.07 45.16 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -95.86 128.39 42.7 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 121.233 0.539 . . . . 0.0 110.276 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -111.69 124.18 51.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.616 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.14 120.85 42.88 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.03 127.94 37.68 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.553 -174.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.8 177.08 5.42 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 26.0 p80 -103.48 138.71 39.82 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--N 1.278 -2.51 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.263 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -79.11 136.96 37.29 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.292 0.567 . . . . 0.0 109.656 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.6 m -119.71 104.4 10.21 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.56 130.47 9.77 Favored Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.468 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -70.71 122.77 20.45 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -79.69 133.69 36.38 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -72.04 101.44 2.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.988 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.16 -24.74 47.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -83.6 89.3 7.09 Favored 'General case' 0 N--CA 1.412 -2.373 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -69.73 -44.31 70.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.878 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -81.45 104.51 11.94 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.49 128.51 1.32 Allowed Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.073 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -77.56 127.4 32.43 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.42 121.82 29.51 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 121.454 0.645 . . . . 0.0 111.257 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.55 126.59 54.43 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 35' ' ' CYS . 20.2 m-70 -60.75 -61.0 2.9 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -174.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 65.2 tttp -62.36 -43.26 99.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -42.5 97.86 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.622 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.82 -46.77 78.0 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.0 -58.76 7.17 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.764 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 73.6 m-70 -65.81 -35.66 81.32 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -69.71 -55.84 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 31.2 m -64.06 -43.46 95.44 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 26.4 ttt -59.94 -33.13 71.49 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.112 0.482 . . . . 0.0 111.328 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.86 -63.77 1.16 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.057 0.456 . . . . 0.0 111.056 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -73.04 -38.56 66.47 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.832 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -92.76 -4.36 53.22 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.664 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 65.57 20.32 11.62 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.56 1.172 . . . . 0.0 110.273 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -73.96 162.43 29.06 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.424 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' CD ' ' HB2' ' A' ' 45' ' ' HIS . 26.7 mtpp -79.81 -46.75 16.36 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -155.71 153.92 30.7 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.497 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.58 141.09 13.81 Favored Glycine 0 CA--C 1.487 -1.676 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 p -143.45 142.72 31.3 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 13.2 t -88.69 109.11 19.86 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -110.95 116.88 31.97 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.73 7.23 5.99 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.509 1.124 . . . . 0.0 111.564 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 13.86 43.85 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.177 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.06 148.11 43.38 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.7 t -87.74 102.43 14.64 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.149 0.5 . . . . 0.0 110.752 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.71 111.99 24.32 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 122.034 0.921 . . . . 0.0 111.345 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.0 m -100.72 114.43 28.17 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.294 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -95.71 129.13 43.02 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.44 -175.72 2.85 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.449 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 4.4 t60 -129.23 125.94 38.01 Favored 'General case' 0 C--N 1.285 -2.203 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.295 -1.775 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.263 177.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 C--O 1.242 0.69 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -101.65 142.87 32.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 t -116.99 92.44 3.86 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.79 113.61 3.95 Favored Glycine 0 C--N 1.289 -2.036 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.337 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -96.5 125.85 41.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -87.83 100.52 12.93 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -70.41 126.81 30.69 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -81.87 0.11 41.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 111.021 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -121.53 122.32 39.42 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -91.05 174.81 7.21 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -77.27 -21.29 53.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.414 1.102 . . . . 0.0 110.484 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -35.95 1.4 Allowed Glycine 0 C--N 1.279 -2.596 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -150.2 158.73 44.47 Favored 'General case' 0 N--CA 1.419 -1.988 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -88.16 122.6 31.9 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.073 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -140.1 138.43 35.29 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -57.96 -64.53 0.88 Allowed 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.024 0.828 . . . . 0.0 112.008 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 94.6 mttt -74.33 -26.23 60.03 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -62.94 -52.93 61.14 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.26 -22.97 61.14 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.111 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.62 -61.53 2.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 74.7 m-70 -67.35 -36.0 80.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 -177.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -58.69 -53.86 53.63 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.979 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.9 m -69.62 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -66.03 -43.26 88.12 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.878 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -80.25 -48.88 12.39 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -88.82 -37.68 15.2 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.759 -0.777 . . . . 0.0 112.721 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -98.71 -2.39 38.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t70 68.96 15.15 8.88 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.085 0.945 . . . . 0.0 111.455 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -70.35 163.88 25.69 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.551 -0.718 . . . . 0.0 109.858 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.56 -43.76 11.15 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -157.9 136.77 11.45 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.089 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.78 159.69 13.83 Favored Glycine 0 C--N 1.29 -1.992 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -154.87 174.78 14.63 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 t -105.79 128.68 53.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -136.33 113.18 10.3 Favored 'General case' 0 N--CA 1.412 -2.342 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 63.74 17.91 10.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.381 1.073 . . . . 0.0 111.842 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.86 7.35 53.22 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.226 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -124.54 145.94 49.29 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 117.176 0.488 . . . . 0.0 110.401 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.8 m -87.23 115.93 24.97 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.78 126.88 52.69 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.898 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.9 m -114.52 116.48 28.88 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 75.7 m-85 -96.09 132.23 41.69 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.879 0.847 . . . . 0.0 112.513 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -114.86 -169.53 1.57 Allowed 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -124.97 114.69 19.46 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 45' ' ' HIS . 25.8 tptp . . . . . 0 N--CA 1.44 -0.952 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.16 128.73 34.91 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.464 0.65 . . . . 0.0 110.822 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -120.69 119.17 32.04 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.79 127.61 9.2 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.76 -1.21 . . . . 0.0 114.023 -171.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -80.51 150.37 29.67 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 123.738 0.649 . . . . 0.0 110.084 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 m -140.55 111.41 6.98 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.267 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 p -161.46 98.26 1.12 Allowed 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 74.5 t-105 -105.99 -45.64 4.3 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -156.58 143.75 18.89 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.64 70.24 Favored Glycine 0 N--CA 1.445 -0.755 0 O-C-N 123.862 0.726 . . . . 0.0 112.31 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -124.04 134.98 53.29 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.62 134.38 46.07 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -135.6 129.54 33.05 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -66.85 -38.68 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 81.0 tttt -63.46 -51.92 63.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.877 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.09 -39.47 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 -50.93 71.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -55.23 -51.05 67.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.32 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 83.3 m-70 -70.1 -25.86 63.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -74.78 -58.63 3.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -56.36 -45.0 80.68 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.16 -41.86 80.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -78.27 -30.58 48.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.86 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -92.89 -53.48 4.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -114.92 18.3 16.5 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 61.98 30.83 18.12 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.89 49.93 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.61 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -77.32 -29.28 53.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.877 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -168.74 167.02 11.44 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.616 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.89 140.38 11.39 Favored Glycine 0 C--N 1.287 -2.188 0 N-CA-C 108.076 -2.01 . . . . 0.0 108.076 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -141.36 -179.23 6.01 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.25 130.53 48.95 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 34.6 t -145.11 129.15 17.53 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.9 m80 67.51 14.17 9.52 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.369 0.668 . . . . 0.0 110.676 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.65 16.99 66.94 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.484 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.92 169.42 16.31 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 40.9 t -85.6 116.03 23.65 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.304 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.42 ' CG ' ' HB3' ' A' ' 36' ' ' SER . 3.1 m-85 -112.11 119.21 37.65 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.087 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.32 126.13 34.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.1 119.07 38.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.89 0.852 . . . . 0.0 111.111 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.68 -175.3 2.68 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.447 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 15.8 t-80 -120.9 135.76 55.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.547 178.508 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 N--CA 1.435 -1.187 0 CA-C-O 121.658 0.742 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -102.53 131.68 49.1 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.669 0.747 . . . . 0.0 111.709 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -116.68 99.8 7.38 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.035 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.94 121.08 5.67 Favored Glycine 0 N--CA 1.429 -1.778 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.086 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -77.97 133.71 37.98 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -79.34 125.95 30.17 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -58.25 137.22 57.27 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 124.238 0.961 . . . . 0.0 111.885 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -99.23 0.24 42.81 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.545 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m 64.32 -171.12 0.18 Allowed 'General case' 0 C--O 1.251 1.149 0 O-C-N 124.678 1.236 . . . . 0.0 109.163 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 m95 59.16 30.56 20.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.048 0.928 . . . . 0.0 111.84 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -107.18 30.15 6.47 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.62 -167.86 39.21 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -86.1 130.87 34.4 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -84.55 122.81 29.55 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.696 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -123.54 147.28 47.41 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 173.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -58.45 -77.52 0.03 OUTLIER 'General case' 0 C--O 1.252 1.234 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 18.5 ptpt -75.54 -19.45 59.32 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.682 -175.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HA ' ' CD2' ' A' ' 22' ' ' HIS . 64.8 mttp -73.5 -42.64 61.56 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -75.44 -24.73 57.08 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.43 -1.308 . . . . 0.0 108.279 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 8.7 t30 -54.36 -60.34 3.47 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.804 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 35.2 p80 -67.43 -35.91 80.17 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.749 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -57.19 -58.88 6.27 Favored 'General case' 0 C--O 1.204 -1.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.553 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 t -65.02 -36.05 83.14 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.657 0.265 . . . . 0.0 110.823 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ttt -56.64 -33.52 66.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.692 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.69 -43.21 7.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.296 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -70.61 -43.19 69.83 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.47 15.87 10.42 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.346 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 50.95 74.21 0.25 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.842 1.339 . . . . 0.0 110.449 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.7 164.29 12.89 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.672 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -77.87 -48.58 16.08 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -160.16 158.17 29.69 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.862 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.35 127.26 6.54 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -110.91 139.42 46.25 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.56 128.06 50.87 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -131.42 110.86 11.33 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.73 31.14 20.0 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.512 1.125 . . . . 0.0 112.281 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.02 0.58 58.64 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.366 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -112.6 134.6 54.04 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-N 117.672 0.736 . . . . 0.0 110.835 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.5 t -94.54 110.86 22.63 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.529 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.77 111.91 24.23 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -87.18 130.56 34.5 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.63 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -105.78 127.73 53.27 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-O 121.358 0.599 . . . . 0.0 110.963 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.47 173.81 7.78 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -109.17 152.65 24.84 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.264 1.832 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 172.544 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.599 0.714 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -88.36 114.14 24.68 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.231 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.04 108.44 16.34 Favored 'General case' 0 C--N 1.279 -2.49 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.597 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.74 121.75 5.88 Favored Glycine 0 N--CA 1.425 -2.05 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -85.57 130.02 34.68 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -70.31 157.59 37.45 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.939 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -101.52 111.81 24.16 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -130.44 -1.13 4.44 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.042 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -148.54 17.07 1.03 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -115.02 123.57 49.39 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.628 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -130.94 176.13 8.49 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.28 -169.57 17.64 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.01 131.89 35.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -85.48 119.71 26.14 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 96.6 m-85 -113.89 132.53 55.89 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -63.32 -48.32 78.55 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 122.901 0.48 . . . . 0.0 111.734 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.16 -39.08 79.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 16' ' ' PHE . 65.1 mttm -71.58 -33.38 69.0 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.0 -43.01 99.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.46 -51.48 69.27 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.73 -39.37 93.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -57.33 -57.47 12.51 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.201 0.6 . . . . 0.0 110.305 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.76 -37.91 86.04 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.127 0.489 . . . . 0.0 111.473 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.69 -43.13 98.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.247 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.18 -45.55 22.85 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.608 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.66 -57.78 11.24 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.195 0.998 . . . . 0.0 112.038 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -137.46 16.68 2.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.47 71.81 0.54 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.457 1.123 . . . . 0.0 110.261 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB1' ' CE1' ' A' ' 44' ' ' TYR . . . -99.09 157.95 16.0 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.885 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.89 -36.52 64.78 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -160.96 165.55 29.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.007 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.95 125.73 5.93 Favored Glycine 0 N--CA 1.423 -2.21 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -103.56 143.25 32.98 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.3 t -102.08 103.56 14.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 46.9 t -105.37 110.09 22.31 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.353 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 57.95 27.09 14.23 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.06 0.944 . . . . 0.0 112.629 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.22 39.61 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.168 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.81 149.05 50.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 117.345 0.573 . . . . 0.0 111.476 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.15 123.95 33.32 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.676 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 36' ' ' SER . 34.4 m-85 -122.55 123.59 41.59 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.9 m -91.2 125.6 36.02 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.82 123.6 48.22 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 121.905 0.86 . . . . 0.0 113.255 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' HB1' ' A' ' 30' ' ' ALA . 38.4 m-85 -118.7 135.08 54.67 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.186 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -84.23 114.24 21.68 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.188 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 121.76 0.791 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.19 138.57 51.16 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 47.1 t -117.7 95.25 4.86 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.675 0.75 . . . . 0.0 112.25 -173.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.97 106.29 3.31 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.531 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -99.34 161.91 13.35 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -68.89 127.81 34.44 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.94 134.92 33.95 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -80.29 -17.49 51.96 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.412 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -84.16 78.3 9.8 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.419 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -71.83 140.62 49.46 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.69 0.757 . . . . 0.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.31 149.2 26.25 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.344 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.29 -45.95 6.02 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.174 -1.971 . . . . 0.0 108.174 172.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -131.79 138.08 48.4 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.26 107.62 19.25 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.7 120.25 41.79 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -57.14 -39.85 76.0 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 123.499 0.499 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.35 -47.01 80.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.556 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.92 -41.34 91.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.836 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.32 -46.78 85.55 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.38 -61.38 2.53 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.516 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -60.27 -52.11 66.69 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -61.17 -46.4 90.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.372 0.42 . . . . 0.0 110.8 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.76 -36.33 73.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.667 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 51.0 ttp -64.17 -45.08 89.99 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.157 0.503 . . . . 0.0 110.041 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.12 -52.18 44.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.305 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -83.46 -57.14 3.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -97.95 -0.24 45.2 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.284 -170.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.49 67.46 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.972 1.368 . . . . 0.0 111.556 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.97 159.88 15.12 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.369 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -73.89 -41.0 62.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -166.23 166.06 17.1 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.195 -1.366 . . . . 0.0 107.767 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.66 133.71 6.83 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -127.17 174.82 8.62 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 117.388 0.594 . . . . 0.0 110.023 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.1 135.2 46.88 Favored 'General case' 0 N--CA 1.423 -1.799 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 51.5 m -144.48 120.65 10.82 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 176.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.0 m170 65.97 16.69 10.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.321 1.049 . . . . 0.0 111.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.32 12.46 65.2 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.766 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -120.02 145.74 46.54 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.86 124.32 25.9 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 36.2 m-85 -120.86 115.52 23.4 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.388 0.613 . . . . 0.0 110.543 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 129.63 34.78 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.689 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 89.8 m-85 -109.63 117.35 33.7 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.487 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 91.2 m-85 -110.29 173.2 6.44 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.358 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -89.43 115.49 26.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.173 0.511 . . . . 0.0 110.363 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.297 -1.688 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.614 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CD2' ' HH ' ' A' ' 32' ' ' TYR . 39.3 m80 -74.31 78.78 1.84 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.254 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 53.0 t -89.75 89.33 7.73 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.87 130.72 10.32 Favored Glycine 0 N--CA 1.413 -2.854 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.048 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -83.79 134.28 34.73 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CD2' ' HH ' ' A' ' 41' ' ' TYR . 57.8 t-80 -71.68 154.47 41.35 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 p -61.29 97.7 0.07 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 123.36 0.413 . . . . 0.0 110.599 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -78.27 -39.29 40.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -89.17 119.77 29.96 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-N 113.94 -1.482 . . . . 0.0 107.649 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -82.79 -7.36 59.66 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -102.26 79.4 1.85 Allowed 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.22 86.41 0.16 Allowed Glycine 0 C--N 1.297 -1.59 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -53.72 144.6 17.59 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 124.315 1.046 . . . . 0.0 111.528 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HB2' ' C ' ' A' ' 38' ' ' GLY . 50.4 t -72.3 97.7 2.06 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.958 -176.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -129.97 168.77 16.16 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -110.49 -63.8 1.35 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.109 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.74 -43.77 83.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -66.24 -34.78 78.78 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -67.84 -41.35 83.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 32' ' ' TYR . 9.1 t30 -58.21 -51.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.628 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -71.03 -27.92 64.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.65 -55.94 25.15 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -64.78 -37.39 87.44 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.249 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.7 tpp -59.46 -40.82 88.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.438 0.695 . . . . 0.0 109.85 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -79.18 -45.17 20.44 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.482 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 23.6 tptm -60.17 -60.5 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.693 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 37.6 mt-10 -128.55 5.71 5.65 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 64.37 75.5 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.259 1.028 . . . . 0.0 108.23 -174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.25 171.16 8.39 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.23 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -80.93 -45.23 17.03 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.501 ' HH ' ' CD2' ' A' ' 3' ' ' HIS . 15.2 p90 -163.0 150.15 13.0 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.062 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.93 146.96 16.67 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -149.59 150.43 32.2 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.85 137.47 32.74 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -143.27 127.64 17.8 Favored 'General case' 0 N--CA 1.408 -2.543 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 65.79 10.72 7.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.092 0.957 . . . . 0.0 112.273 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.4 ' C ' ' HB2' ' A' ' 15' ' ' CYS . . . 97.18 10.0 55.02 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.544 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.84 156.49 41.26 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 120.857 0.361 . . . . 0.0 110.759 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.9 113.02 20.66 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.485 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HH ' ' CD2' ' A' ' 7' ' ' HIS . 2.4 m-85 -104.99 134.86 47.38 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.6 m -101.85 121.82 42.82 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.049 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.64 127.27 51.1 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.403 0.62 . . . . 0.0 110.839 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 72.1 m-85 -117.77 170.35 8.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -104.96 103.39 12.95 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.486 -0.886 . . . . 0.0 108.643 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 120.787 0.327 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -120.46 109.94 15.89 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.761 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m -100.96 93.32 5.45 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.381 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.0 102.32 1.32 Allowed Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -77.46 138.59 39.33 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -69.48 141.97 53.85 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.924 0.765 . . . . 0.0 109.295 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -60.88 100.62 0.12 Allowed 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.256 1.022 . . . . 0.0 111.084 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.34 -33.35 43.12 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -96.42 85.56 3.95 Favored 'General case' 0 N--CA 1.407 -2.604 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.439 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -93.18 -23.86 18.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.611 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.85 103.34 7.73 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.277 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.63 -178.57 35.68 Favored Glycine 0 N--CA 1.426 -1.979 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -102.75 126.13 49.75 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 118.592 1.196 . . . . 0.0 108.927 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -79.43 127.2 31.81 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.15 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.92 142.08 36.47 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -60.48 -64.72 0.85 Allowed 'General case' 0 C--N 1.316 -0.856 0 O-C-N 123.862 0.726 . . . . 0.0 111.626 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -59.98 -39.54 86.05 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.071 0.232 . . . . 0.0 111.487 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -51.22 -63.66 1.06 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.293 0.995 . . . . 0.0 111.274 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -73.84 -21.24 60.19 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.517 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -64.28 -61.03 2.5 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -67.02 -32.05 73.01 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.342 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -59.03 -64.51 0.92 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 123.847 0.717 . . . . 0.0 109.968 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m -59.08 -36.37 74.98 Favored 'General case' 0 C--O 1.25 1.107 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 49.7 ttm -58.3 -38.81 77.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.475 0.71 . . . . 0.0 111.369 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.81 -41.63 9.12 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.169 0.509 . . . . 0.0 110.086 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.18 -55.2 33.88 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 125.425 1.49 . . . . 0.0 112.859 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -132.56 16.14 4.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.713 0.292 . . . . 0.0 111.44 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.577 ' HA ' ' O ' ' A' ' 25' ' ' MET . 6.1 m-20 55.29 64.65 1.71 Allowed 'General case' 0 CA--C 1.493 -1.244 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.519 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -87.37 156.62 19.52 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.664 175.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.24 -49.4 35.41 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -163.39 145.41 9.76 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.633 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.58 153.49 16.8 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -148.47 164.24 34.77 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 t -106.0 110.4 22.65 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -114.84 107.5 15.5 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.14 25.4 15.21 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 112.292 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.71 8.1 59.66 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.772 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -120.26 134.72 55.2 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.5 m -80.55 101.45 9.16 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.803 0.335 . . . . 0.0 111.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.14 133.23 42.06 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.0 m -119.92 123.93 44.77 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 121.16 0.505 . . . . 0.0 109.926 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -93.24 118.22 30.99 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.717 -173.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.437 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 95.3 m-85 -109.7 168.42 9.42 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.403 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -70.43 110.24 5.23 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.854 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.067 174.207 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 C--O 1.248 1.01 0 CA-C-O 121.093 0.473 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.07 107.69 18.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.126 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.23 92.14 3.83 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.67 135.02 12.03 Favored Glycine 0 C--N 1.299 -1.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.389 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -93.38 148.13 22.33 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -58.67 152.0 19.66 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 123.818 0.699 . . . . 0.0 110.209 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.5 m -93.85 162.14 14.03 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.28 0.562 . . . . 0.0 112.08 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -112.56 5.49 17.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 171.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -75.89 11.64 1.35 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -72.18 -34.77 68.69 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -104.84 83.26 1.98 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.12 -160.45 28.16 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.649 -2.58 . . . . 0.0 106.649 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 13.5 tppt? -139.96 156.05 46.84 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 118.677 1.239 . . . . 0.0 109.198 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 51.6 t -76.65 122.6 24.9 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 95.4 m-85 -128.11 102.57 6.78 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 174.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 34' ' ' SER . 44.9 t-80 -52.28 -57.16 10.59 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -62.79 -46.86 86.04 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-O 120.558 0.218 . . . . 0.0 110.965 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -58.59 -54.4 47.47 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -65.01 -37.34 87.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.619 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.3 -51.88 67.92 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 120.667 0.27 . . . . 0.0 110.667 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -80.29 -28.26 38.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -59.92 -50.26 74.46 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.53 -46.92 77.7 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.278 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.72 -38.53 85.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.592 0.234 . . . . 0.0 111.327 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -84.29 -64.62 1.13 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.013 0.435 . . . . 0.0 111.748 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -74.12 -40.99 62.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -98.29 -2.84 38.55 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t70 54.32 71.08 0.54 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.246 1.022 . . . . 0.0 110.196 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.08 170.46 8.84 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.725 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -84.01 -49.19 9.17 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -166.36 153.01 9.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.65 131.41 8.05 Favored Glycine 0 C--N 1.293 -1.853 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.516 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 10.6 t -124.67 166.6 15.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -97.36 127.64 43.49 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.0 t -130.87 110.79 11.55 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.12 16.3 10.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.966 0.906 . . . . 0.0 111.256 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.89 16.71 35.01 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -127.31 151.37 48.84 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.658 0.266 . . . . 0.0 111.253 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 72.8 m -88.45 99.38 12.24 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.019 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -95.55 114.45 26.21 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.241 0.543 . . . . 0.0 109.693 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.7 m -94.53 124.39 38.53 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.977 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.61 130.14 45.14 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.786 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -112.22 175.64 5.35 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.066 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -95.91 104.28 16.21 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.38 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -92.25 128.73 38.2 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.232 0.539 . . . . 0.0 110.196 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.8 m -125.24 114.92 19.6 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 42' ' ' CYS . . . -90.22 137.96 14.25 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 62.2 pttt -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -76.9 122.46 24.88 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -77.34 81.48 3.82 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-O 121.982 0.896 . . . . 0.0 112.714 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -81.04 -28.75 35.25 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 t -77.12 118.33 19.55 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 170.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -75.97 119.51 20.04 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.412 0.625 . . . . 0.0 112.351 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.6 125.12 49.92 Favored 'General case' 0 CA--C 1.489 -1.395 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 172.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.36 -37.59 90.63 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -128.12 174.93 8.82 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 121.893 0.854 . . . . 0.0 110.44 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -140.91 120.19 13.0 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 113.723 -1.58 . . . . 0.0 108.921 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.73 112.46 19.79 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -55.73 -39.47 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.826 0.704 . . . . 0.0 112.876 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.07 -46.96 75.86 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.004 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.38 -48.45 81.22 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.943 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.97 -43.14 86.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.469 0.481 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -61.51 -58.75 6.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.308 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -67.5 -32.15 72.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.42 -62.62 1.32 Allowed 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.363 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 m -63.95 -35.93 82.31 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.13 -35.87 78.2 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.694 0.283 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -88.82 -56.5 3.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.133 0.492 . . . . 0.0 110.217 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.85 -45.44 92.58 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.63 13.22 13.32 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.817 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 51.71 67.75 0.91 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 122.324 1.059 . . . . 0.0 110.013 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.45 167.59 9.64 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -79.91 -43.39 22.29 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -169.25 161.35 10.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.949 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 139.11 12.51 Favored Glycine 0 C--N 1.294 -1.769 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -145.04 173.67 11.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 117.715 0.757 . . . . 0.0 109.458 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.2 m -102.1 133.14 47.42 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.186 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.486 ' HB3' ' CD1' ' A' ' 41' ' ' TYR . 42.8 t -147.99 128.73 14.25 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 m80 69.53 2.4 3.74 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.069 0.948 . . . . 0.0 111.637 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.07 5.26 62.54 Favored Glycine 0 C--O 1.239 0.458 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.82 157.98 17.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 C-N-CA 123.5 0.72 . . . . 0.0 110.274 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -94.1 111.11 22.8 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.496 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 56.9 m-85 -109.45 127.36 54.35 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' HE2' ' A' ' 6' ' ' LYS . 61.4 m -105.53 122.46 46.05 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.5 129.37 43.88 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -124.61 -179.43 4.5 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -89.61 136.7 32.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.317 -0.816 0 C-N-CA 123.384 0.674 . . . . 0.0 110.996 -179.681 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 N--CA 1.434 -1.273 0 CA-C-O 121.276 0.56 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.54 134.72 22.82 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.301 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.54 137.64 52.02 Favored 'General case' 0 C--N 1.278 -2.521 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.948 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.05 133.98 11.59 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.484 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -116.92 135.0 54.05 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -89.77 136.46 33.02 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 m -71.05 149.94 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.436 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -64.91 -48.7 73.21 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m 63.0 85.64 0.13 Allowed 'General case' 0 C--O 1.251 1.138 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.867 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -76.76 -46.32 25.66 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.933 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -172.7 91.9 0.11 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.425 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.93 156.94 27.0 Favored Glycine 0 N--CA 1.423 -2.183 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -104.78 137.43 42.59 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.9 t -82.84 117.51 22.77 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.429 0.633 . . . . 0.0 112.229 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.68 145.06 44.31 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -58.84 -47.74 83.76 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -65.36 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.838 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -63.82 -52.83 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.004 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.01 -40.37 95.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.891 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -69.38 -53.15 20.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.091 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 85.0 m-70 -65.4 -29.06 69.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 52.6 t-105 -71.48 -65.14 0.79 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.6 m -65.96 -33.85 76.77 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -171.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 26.7 ttt -83.59 -33.85 25.27 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 119.601 1.092 . . . . 0.0 109.424 -173.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 34.5 mt-10 -88.54 -30.58 19.21 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.428 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 23' ' ' TRP . 19.1 tptm -98.58 -50.94 4.09 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -91.62 -7.11 50.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.405 0.621 . . . . 0.0 109.62 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' MET . 35.3 t70 58.72 33.56 23.16 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.137 1.375 . . . . 0.0 109.683 -176.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.8 163.72 25.19 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.582 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.47 -46.19 84.12 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -171.41 167.87 6.68 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.469 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.23 141.7 13.01 Favored Glycine 0 N--CA 1.436 -1.364 0 N-CA-C 109.746 -1.341 . . . . 0.0 109.746 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.8 m -141.67 168.7 19.13 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 117.368 0.584 . . . . 0.0 110.43 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.78 131.91 54.5 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -132.86 110.76 10.54 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 67.92 19.25 9.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.816 0.846 . . . . 0.0 111.267 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.32 4.68 73.65 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.766 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -110.01 141.14 43.24 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.29 119.31 26.43 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.461 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -119.06 124.81 47.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.8 m -109.12 131.6 54.91 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.79 128.43 49.55 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.17 0.509 . . . . 0.0 111.769 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -115.92 154.93 28.88 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -72.84 107.75 5.42 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 126.616 1.966 . . . . 0.0 114.273 -176.507 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -72.64 128.22 34.92 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.574 0.546 . . . . 0.0 109.777 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 67.0 m -128.68 116.28 19.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.551 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.0 109.58 3.38 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -80.41 151.11 29.52 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -62.25 152.84 32.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.614 0.721 . . . . 0.0 110.95 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -80.3 72.47 7.15 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.518 -174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -92.23 -0.47 57.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.429 1.109 . . . . 0.0 109.065 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -105.84 36.07 2.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 172.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -44.68 139.39 2.94 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 127.152 2.181 . . . . 0.0 113.998 -172.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.96 129.56 25.97 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.34 -62.11 4.97 Favored Glycine 0 CA--C 1.499 -0.924 0 O-C-N 123.945 0.778 . . . . 0.0 113.451 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -92.13 133.44 35.76 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.56 91.13 7.36 Favored 'General case' 0 C--N 1.276 -2.63 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 99.1 m-85 -77.52 115.22 17.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.68 -72.41 0.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.039 0.837 . . . . 0.0 112.541 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 60.4 tttm -68.26 -35.67 78.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.162 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 16' ' ' PHE . 59.5 tptt -64.47 -50.01 69.16 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -73.1 -29.68 63.1 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.609 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -55.11 -55.85 26.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.869 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 52.5 m-70 -70.87 -28.98 64.97 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.444 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -59.31 -60.29 4.09 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.68 -41.34 88.26 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.596 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -57.87 -43.56 86.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -57.62 2.83 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -72.57 -41.39 65.77 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -95.77 -4.38 44.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -172.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.06 22.93 5.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.346 1.069 . . . . 0.0 110.102 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -78.79 162.9 25.78 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.246 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.34 -38.8 15.89 Favored 'General case' 0 C--N 1.283 -2.301 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.233 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -161.61 150.19 15.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.608 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.16 132.73 10.84 Favored Glycine 0 C--N 1.296 -1.642 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 t -136.46 144.51 44.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 117.59 0.695 . . . . 0.0 109.981 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.93 128.01 33.26 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.394 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 21.0 t -144.13 121.49 11.63 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.3 m80 67.67 13.59 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.356 1.062 . . . . 0.0 111.588 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.58 -9.43 62.45 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -102.88 158.09 16.51 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 120.622 0.248 . . . . 0.0 110.641 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 34.0 m-85 -95.34 116.85 29.33 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.4 m -94.16 118.12 31.09 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 30.8 m-85 -91.74 127.75 37.31 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.545 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -120.92 179.14 4.46 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -104.61 137.11 42.94 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.941 176.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.295 -1.784 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.343 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 60.1 pttt . . . . . 0 N--CA 1.436 -1.159 0 CA-C-O 121.951 0.881 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -105.65 92.62 4.26 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.712 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -96.96 111.74 23.81 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.363 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.39 156.31 22.63 Favored Glycine 0 N--CA 1.433 -1.56 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.105 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -61.73 139.0 58.37 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.596 1.158 . . . . 0.0 110.808 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -72.52 101.43 2.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 168.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 t -86.92 109.72 19.53 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 122.234 1.016 . . . . 0.0 112.389 -168.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -98.15 -32.57 11.53 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.25 -1.341 . . . . 0.0 107.687 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -95.31 104.56 16.45 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.421 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' CZ2' ' HB3' ' A' ' 8' ' ' SER . 3.4 m-90 -128.66 99.73 5.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -134.33 105.64 6.71 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.17 -166.68 12.21 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -92.74 151.62 19.95 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.8 t -86.66 114.18 23.15 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.465 0.65 . . . . 0.0 110.937 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.99 113.99 23.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -48.25 -53.6 16.56 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.54 -38.69 77.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.78 -32.87 70.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.8 -42.45 95.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.264 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.26 -48.84 73.42 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.788 0.328 . . . . 0.0 111.33 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -73.0 -33.3 65.69 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.235 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -63.6 -48.33 77.78 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.88 -43.99 97.72 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.186 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.15 -47.74 83.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 0.0 110.352 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.2 -51.69 29.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.79 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.97 -40.96 10.83 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -170.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HB3' ' HH ' ' A' ' 44' ' ' TYR . 55.2 mm-40 -103.94 -15.3 15.68 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -169.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.93 82.82 0.16 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.067 0.854 . . . . 0.0 109.23 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.44 6.26 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.865 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -82.72 -48.73 10.53 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -157.6 151.84 24.7 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.0 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' A' ' 34' ' ' SER . . . -114.21 149.48 18.74 Favored Glycine 0 CA--C 1.479 -2.206 0 N-CA-C 107.502 -2.239 . . . . 0.0 107.502 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 33' ' ' GLY . 54.5 m -150.92 174.23 13.35 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 117.268 0.534 . . . . 0.0 110.47 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.1 t -111.42 112.39 24.1 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -110.64 105.56 14.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.708 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 68.21 17.21 9.37 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.484 1.113 . . . . 0.0 111.459 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 5.12 58.23 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.58 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -114.13 136.03 53.38 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -74.29 129.74 38.37 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.487 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -138.68 143.66 39.27 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.327 0.584 . . . . 0.0 112.402 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.94 137.48 45.87 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -113.89 133.53 55.38 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.278 0.561 . . . . 0.0 111.563 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HH ' ' HB3' ' A' ' 28' ' ' GLU . 57.8 m-85 -123.51 -171.69 2.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.658 -176.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.53 145.19 29.89 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.989 172.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 35.5 m . . . . . 0 C--N 1.284 -2.248 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.927 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -111.38 104.35 12.8 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.497 0.665 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -110.22 105.65 14.79 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -93.31 96.44 9.97 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 126.54 8.12 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.402 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . 24.4 tptm -65.71 142.96 57.83 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 124.432 1.093 . . . . 0.0 109.393 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -72.98 111.88 8.5 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 m -74.68 83.47 2.09 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-O 121.645 0.736 . . . . 0.0 112.846 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' HB2' ' HZ1' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -110.53 8.5 23.0 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.001 171.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -88.54 103.92 16.34 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -77.36 138.8 39.53 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.393 0.616 . . . . 0.0 110.415 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -141.59 150.99 42.76 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.79 -74.06 0.51 Allowed Glycine 0 C--N 1.315 -0.609 0 O-C-N 123.524 0.515 . . . . 0.0 113.405 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -113.38 138.63 49.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.29 129.13 36.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 120.916 0.389 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -137.02 129.1 29.43 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -50.74 -54.09 26.19 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.505 0.722 . . . . 0.0 112.394 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 64.5 tttm -61.02 -46.86 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.948 0.404 . . . . 0.0 111.033 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -71.12 -30.32 66.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.679 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.95 -44.51 84.8 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.5 -52.52 65.3 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.542 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 27.9 m-70 -57.14 -51.86 67.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.812 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.73 -55.53 33.93 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.514 0.509 . . . . 0.0 111.054 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -56.16 -42.2 76.64 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 54.4 ttm -61.27 -48.43 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.297 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -71.52 -39.42 70.76 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.054 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.52 -56.34 11.28 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 124.775 1.23 . . . . 0.0 113.3 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -139.4 25.66 2.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 54.83 59.32 4.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.697 1.237 . . . . 0.0 109.659 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.84 147.89 24.16 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HE2' ' N ' ' A' ' 31' ' ' LYS . 9.9 mmpt? -70.41 -41.03 73.51 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.943 0.878 . . . . 0.0 109.118 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -160.41 167.92 26.29 Favored 'General case' 0 N--CA 1.412 -2.338 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.462 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 140.64 11.92 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -130.87 147.13 52.49 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -96.01 118.91 33.55 Favored 'General case' 0 N--CA 1.416 -2.136 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 23.3 t -136.66 127.15 26.8 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 68.07 15.21 9.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.422 1.089 . . . . 0.0 110.337 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.08 17.36 74.64 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.589 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.89 150.26 40.17 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-O 121.161 0.505 . . . . 0.0 110.404 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -85.09 109.99 18.64 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 39.4 m-85 -103.08 121.15 42.01 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.216 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -89.79 131.72 35.59 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -111.54 126.77 55.34 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.567 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 6' ' ' LYS . 39.6 m-85 -107.7 179.5 4.21 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.464 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -126.33 109.59 12.42 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 C--N 1.298 -1.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.855 -178.572 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -142.06 120.05 12.05 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.299 0.571 . . . . 0.0 111.044 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -85.83 143.35 28.32 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.7 m -120.64 112.82 19.37 Favored 'General case' 0 C--N 1.28 -2.428 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.841 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.31 117.31 4.5 Favored Glycine 0 N--CA 1.423 -2.228 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -74.94 120.0 19.87 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 72.2 m80 -61.79 142.77 57.09 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.764 -172.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -71.22 147.83 47.86 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.942 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.04 -10.16 57.22 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m 71.14 175.58 0.29 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.84 1.256 . . . . 0.0 109.614 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.3 m95 66.54 20.81 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.344 0.658 . . . . 0.0 112.598 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.34 132.84 47.77 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -46.94 58.79 Favored Glycine 0 CA--C 1.503 -0.667 0 O-C-N 124.024 0.827 . . . . 0.0 112.267 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -150.61 135.71 17.69 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 172.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.11 88.98 6.43 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -77.58 150.32 34.73 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.855 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.22 -74.18 0.5 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -71.26 -41.64 69.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -62.91 -44.53 95.84 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.249 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.6 -33.66 66.87 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.21 -53.13 61.77 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.197 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -68.71 -31.81 71.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.916 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -60.46 -60.55 3.63 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.1 m -58.85 -42.02 88.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.555 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 53.1 ttp -61.0 -28.55 69.11 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.873 0.469 . . . . 0.0 112.241 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -103.62 -45.15 4.9 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.757 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -68.09 -45.42 73.8 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -113.7 0.84 14.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.983 0.421 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' ' 25' ' ' MET . 18.4 m-20 61.98 48.59 5.1 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.078 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.63 164.83 24.31 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.382 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -85.31 -43.66 13.52 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.52 149.03 20.11 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.56 138.51 15.03 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -133.28 152.42 51.93 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 117.38 0.59 . . . . 0.0 110.559 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.3 t -96.51 113.57 25.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 18.8 m -118.59 107.88 14.27 Favored 'General case' 0 N--CA 1.409 -2.498 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.723 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.95 18.19 11.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.125 0.97 . . . . 0.0 112.09 173.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 5.78 54.33 Favored Glycine 0 C--O 1.243 0.688 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.295 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.47 136.21 54.84 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 123.199 0.6 . . . . 0.0 109.866 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.48 120.53 27.91 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.277 0.561 . . . . 0.0 110.393 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 7' ' ' HIS . 41.9 m-85 -113.01 124.23 52.15 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.117 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.9 m -106.42 128.38 54.01 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.036 0.446 . . . . 0.0 110.57 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -100.46 130.53 46.55 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.791 -172.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -122.03 174.55 6.85 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.28 128.44 53.98 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.798 173.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -130.22 102.26 6.14 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.91 138.32 31.64 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.042 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.2 m -126.93 118.98 25.64 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.17 -171.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.0 117.24 4.37 Favored Glycine 0 N--CA 1.433 -1.528 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.459 ' HD2' ' CD2' ' A' ' 44' ' ' TYR . 67.7 mttm -108.36 170.4 8.04 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 120.82 0.343 . . . . 0.0 110.379 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -72.48 132.42 43.83 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -75.92 157.6 33.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.705 0.288 . . . . 0.0 110.388 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -119.45 -13.45 9.23 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.593 0.711 . . . . 0.0 110.07 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -136.55 121.36 18.63 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -119.07 144.76 46.4 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.63 159.63 19.8 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -24.41 64.97 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 121.313 0.396 . . . . 0.0 113.633 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 87.1 tttt -144.43 156.57 44.26 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 t -81.48 81.46 7.59 Favored 'General case' 0 N--CA 1.413 -2.282 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.625 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 96.7 m-85 -83.09 101.77 11.38 Favored 'General case' 0 N--CA 1.415 -2.199 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -54.52 -50.73 67.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -171.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -71.78 -38.52 70.29 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -71.29 -49.62 40.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.905 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.23 -26.72 64.94 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.65 -59.35 4.83 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.676 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -72.71 -28.91 62.95 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.179 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -58.82 -57.28 13.73 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.53 -29.52 66.02 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 27.6 ttt -62.35 -37.71 86.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -85.9 -42.46 14.07 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.767 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -56.69 -59.47 4.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 124.339 1.056 . . . . 0.0 111.303 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -120.38 13.07 11.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 25' ' ' MET . 26.5 t70 59.69 35.14 22.26 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.62 1.2 . . . . 0.0 109.893 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 142.01 58.58 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -68.97 -42.29 76.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -165.35 133.94 3.26 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.126 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.56 135.05 12.06 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -138.37 156.26 47.77 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 122.334 -0.509 . . . . 0.0 110.649 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.47 119.71 24.55 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.651 0.739 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 45.0 m -133.65 117.71 17.32 Favored 'General case' 0 N--CA 1.409 -2.496 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 m170 72.98 5.42 5.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 125.073 1.349 . . . . 0.0 110.754 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.91 60.68 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -101.5 156.23 17.59 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.04 116.76 28.32 Favored 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.439 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 39.9 m-85 -111.81 134.15 53.56 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.202 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.12 119.5 31.3 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.787 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -98.79 126.66 44.49 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.475 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.459 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 85.0 m-85 -114.94 -170.96 1.85 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -120.19 134.03 55.35 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.261 1.688 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.773 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.96 108.72 19.72 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.298 0.57 . . . . 0.0 110.837 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.477 ' CD2' ' HE2' ' A' ' 32' ' ' TYR . 34.8 m80 -123.44 145.05 49.11 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.418 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 19.7 t -139.32 121.83 16.2 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 124.521 1.128 . . . . 0.0 109.258 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.19 112.13 4.23 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.689 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -106.78 152.16 24.22 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.64 126.25 29.09 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -70.56 116.2 10.62 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.352 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -78.53 -14.1 59.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.003 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.8 t -78.62 140.42 38.44 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -80.65 79.06 7.35 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.969 0.89 . . . . 0.0 110.909 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.46 78.26 1.25 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.984 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.79 45.61 Favored Glycine 0 N--CA 1.427 -1.943 0 CA-C-N 114.152 -1.385 . . . . 0.0 112.234 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.95 115.77 21.94 Favored 'General case' 0 N--CA 1.421 -1.899 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -83.55 98.11 9.4 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.601 -168.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.8 109.41 4.58 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -48.59 -50.23 33.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.277 0.631 . . . . 0.0 111.907 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -58.08 -44.25 87.47 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.519 . . . . 0.0 111.137 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -68.51 -53.75 21.23 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.537 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.8 m -62.64 -37.31 85.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.218 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -57.65 -59.21 5.55 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.925 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -71.24 -27.5 63.51 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.193 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.35 -61.62 2.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.351 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.25 -31.57 71.14 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.227 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.548 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 50.3 ttm -60.95 -38.24 85.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.887 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.53 -35.24 14.41 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.22 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -72.65 -60.54 2.18 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.89 15.19 16.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 25' ' ' MET . 7.1 m-20 52.65 58.88 4.91 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.694 -1.139 . . . . 0.0 113.189 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.09 164.43 15.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.038 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -73.06 -38.64 66.38 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' HE2' ' CD2' ' A' ' 3' ' ' HIS . 54.9 p90 -166.81 163.7 16.4 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.134 174.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.49 138.93 11.82 Favored Glycine 0 N--CA 1.428 -1.892 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -142.6 152.84 42.94 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 117.64 0.72 . . . . 0.0 111.082 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -83.09 120.65 26.03 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.956 0.884 . . . . 0.0 112.11 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -122.08 113.91 20.18 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-N 114.478 -1.237 . . . . 0.0 107.674 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 63.56 17.86 10.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.872 0.869 . . . . 0.0 113.208 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 15.36 39.95 Favored Glycine 0 C--O 1.219 -0.833 0 C-N-CA 119.695 -1.241 . . . . 0.0 112.792 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.13 153.69 51.66 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.5 m -104.02 117.67 34.85 Favored 'General case' 0 C--N 1.274 -2.711 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.609 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -93.23 151.88 19.54 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -100.24 124.45 45.71 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.688 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 50.7 m-85 -103.49 119.54 39.09 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-O 121.49 0.662 . . . . 0.0 110.694 -178.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -124.99 -157.44 0.78 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -112.96 138.68 49.46 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.301 -1.507 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -104.67 140.61 37.79 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.157 0.503 . . . . 0.0 109.788 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -94.19 126.78 39.63 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.95 107.18 18.6 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.823 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.54 134.24 12.43 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.157 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.38 116.95 16.65 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.488 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 53.7 m80 -75.99 149.96 37.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.234 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -81.18 83.47 6.8 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.474 0.654 . . . . 0.0 109.806 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.0 -60.05 1.61 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -113.87 15.21 18.63 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.177 0.513 . . . . 0.0 111.347 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -118.05 94.82 4.65 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.098 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -114.2 155.27 26.41 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.062 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.73 -162.88 28.56 Favored Glycine 0 N--CA 1.424 -2.15 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' A' ' 16' ' ' PHE . 86.8 tttt -86.23 142.38 28.63 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 21.1 t -81.86 95.99 7.49 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.788 0.804 . . . . 0.0 110.17 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 91.6 m-85 -95.6 107.61 19.81 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 175.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -51.51 -57.49 8.9 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.303 0.641 . . . . 0.0 112.612 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.94 -40.1 63.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.918 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.69 -42.33 82.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.524 -0.47 . . . . 0.0 112.034 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.4 m -68.87 -37.24 78.93 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -55.89 -54.43 44.72 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.463 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -71.56 -32.02 67.63 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -58.03 -52.93 63.5 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.41 -44.25 71.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.017 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.452 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 28.2 ttt -61.02 -45.36 95.11 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.858 0.463 . . . . 0.0 111.511 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.0 -56.91 4.03 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.21 -37.73 32.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -103.4 -2.49 26.89 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.541 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 25' ' ' MET . 28.2 t70 52.92 55.67 8.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 123.129 1.442 . . . . 0.0 110.71 -174.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.9 18.93 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.349 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -74.29 -56.19 5.17 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -151.19 138.36 19.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.97 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -106.2 116.65 5.18 Favored Glycine 0 N--CA 1.428 -1.897 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 m -113.1 172.02 7.19 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 t -107.29 124.18 49.41 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.5 m -112.73 98.03 6.95 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.421 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 53.9 35.68 22.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.127 0.971 . . . . 0.0 112.966 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.66 -2.32 49.19 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.239 -0.982 . . . . 0.0 113.851 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -118.77 141.49 48.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 117.414 0.607 . . . . 0.0 110.621 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 84.1 m -80.86 112.03 17.87 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.996 0.427 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 7' ' ' HIS . 9.5 m-85 -107.08 113.11 26.37 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.614 0.721 . . . . 0.0 111.067 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 55.6 m -99.12 115.94 30.19 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.785 -177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -93.75 126.1 38.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.082 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.06 175.64 5.41 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -91.63 133.28 35.7 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.359 -0.936 . . . . 0.0 108.775 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--N 1.293 -1.848 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.025 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -95.98 152.44 18.51 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -68.86 126.88 31.15 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 121.757 0.789 . . . . 0.0 109.281 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.35 105.57 16.2 Favored 'General case' 0 C--N 1.26 -3.288 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.13 127.32 8.5 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.659 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.67 128.55 56.42 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.417 ' CE1' ' HH ' ' A' ' 41' ' ' TYR . 4.2 t60 -72.27 118.81 15.61 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 40' ' ' CYS . 46.6 t -110.23 165.8 11.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.602 0.715 . . . . 0.0 111.683 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.91 -13.13 51.79 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 73.2 174.74 0.28 Allowed 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.844 1.258 . . . . 0.0 112.156 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -95.26 121.18 36.65 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.75 113.19 5.31 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.327 0.584 . . . . 0.0 110.201 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.58 -152.62 23.99 Favored Glycine 0 N--CA 1.422 -2.258 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -93.56 134.31 35.96 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.2 t -89.29 129.32 35.86 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.279 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.94 141.46 48.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.71 -54.08 50.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -64.58 -41.68 96.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.176 0.512 . . . . 0.0 110.839 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.87 -34.81 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.1 -41.01 95.34 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.85 -53.8 52.39 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.137 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.99 -38.26 90.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.43 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -59.51 -60.03 4.51 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 123.427 0.454 . . . . 0.0 110.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.69 -40.39 79.35 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.449 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 27.2 ttt -67.65 -43.74 79.55 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.898 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.46 -36.27 39.05 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.343 0.592 . . . . 0.0 111.021 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.91 -52.15 10.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.52 12.37 8.67 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.636 -0.826 . . . . 0.0 111.996 -172.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' MET . 33.0 t70 51.78 73.46 0.32 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 122.597 1.189 . . . . 0.0 111.37 -171.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -103.26 168.42 9.19 Favored 'General case' 0 C--N 1.274 -2.677 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HD2' ' HB3' ' A' ' 45' ' ' HIS . 27.8 mtpp -82.27 -35.03 28.47 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 121.554 0.693 . . . . 0.0 109.142 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -166.29 177.61 6.74 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.487 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.71 23.1 Favored Glycine 0 N--CA 1.417 -2.568 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -142.15 142.75 32.76 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 117.579 0.689 . . . . 0.0 109.696 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.53 118.18 26.83 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.441 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 37.9 t -116.86 109.02 16.55 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 65.97 13.87 9.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.866 0.866 . . . . 0.0 111.639 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 6.06 40.79 Favored Glycine 0 N--CA 1.434 -1.444 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.034 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -124.29 152.8 42.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.476 0.638 . . . . 0.0 110.374 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.1 m -79.9 127.26 32.03 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 20.6 m-85 -124.43 127.01 46.88 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 173.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -96.5 137.01 36.21 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.68 129.69 56.57 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.657 0.741 . . . . 0.0 111.785 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -116.98 -175.46 2.78 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.437 ' HB3' ' HD2' ' A' ' 31' ' ' LYS . 42.7 p-80 -100.55 134.19 43.88 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 m . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 123.516 0.726 . . . . 0.0 109.064 174.04 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.039 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 98.0 mttt -77.92 99.63 6.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -75.28 117.01 16.63 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -119.91 111.77 18.36 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.007 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.05 102.57 2.51 Favored Glycine 0 CA--C 1.487 -1.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.702 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.56 132.04 35.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 120.975 0.417 . . . . 0.0 110.379 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -78.35 103.54 8.36 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 170.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -62.06 168.18 3.44 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -53.19 -17.84 1.93 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t 73.45 94.21 0.08 Allowed 'General case' 0 C--O 1.241 0.658 0 CA-C-O 122.483 1.135 . . . . 0.0 112.002 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -113.6 101.29 9.19 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.71 74.25 4.3 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.149 -1.02 . . . . 0.0 113.718 -170.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.93 -77.53 1.17 Allowed Glycine 0 N--CA 1.423 -2.193 0 N-CA-C 105.306 -3.117 . . . . 0.0 105.306 168.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -147.16 133.92 20.04 Favored 'General case' 0 N--CA 1.411 -2.418 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.68 105.25 14.44 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 120.987 0.423 . . . . 0.0 109.977 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -104.33 113.15 26.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.28 -39.49 94.74 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 122.949 0.156 . . . . 0.0 111.172 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -66.49 -51.3 58.2 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 122.815 0.446 . . . . 0.0 110.415 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -60.39 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.716 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -59.56 -50.37 74.17 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 110.596 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.13 -29.09 57.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.92 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -59.75 -56.95 15.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.64 -44.79 92.83 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.16 -47.71 77.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.549 0.34 . . . . 0.0 111.595 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -83.18 -61.47 1.84 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.015 0.436 . . . . 0.0 111.095 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -68.97 -45.13 71.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -173.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.21 -5.53 40.22 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.98 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.3 t70 53.68 77.54 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.907 1.283 . . . . 0.0 110.191 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.04 173.69 8.53 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.402 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -83.74 -61.71 1.76 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.673 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.88 151.89 31.87 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.386 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.49 137.37 13.79 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 m -132.33 149.45 52.36 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 t -96.4 132.01 42.37 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -128.09 103.44 7.22 Favored 'General case' 0 N--CA 1.415 -2.186 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 66.01 4.16 2.92 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.552 1.141 . . . . 0.0 112.768 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.28 1.61 11.15 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.491 -0.862 . . . . 0.0 113.126 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.84 146.07 45.16 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -95.86 128.39 42.7 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 121.233 0.539 . . . . 0.0 110.276 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -111.69 124.18 51.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.616 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.14 120.85 42.88 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.03 127.94 37.68 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.553 -174.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.8 177.08 5.42 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 26.0 p80 -103.48 138.71 39.82 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--N 1.278 -2.51 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.263 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' HA ' ' NE2' ' A' ' 45' ' ' HIS . . . . . . . . 0 C--O 1.24 0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -128.22 106.44 9.04 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.513 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -79.11 136.96 37.29 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.292 0.567 . . . . 0.0 109.656 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.6 m -119.71 104.4 10.21 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.56 130.47 9.77 Favored Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.468 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -70.71 122.77 20.45 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -79.69 133.69 36.38 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -72.04 101.44 2.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.988 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.16 -24.74 47.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -83.6 89.3 7.09 Favored 'General case' 0 N--CA 1.412 -2.373 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -69.73 -44.31 70.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.878 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -81.45 104.51 11.94 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.49 128.51 1.32 Allowed Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.073 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -77.56 127.4 32.43 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.42 121.82 29.51 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 121.454 0.645 . . . . 0.0 111.257 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.55 126.59 54.43 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 35' ' ' CYS . 20.2 m-70 -60.75 -61.0 2.9 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -174.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 65.2 tttp -62.36 -43.26 99.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -42.5 97.86 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.622 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.82 -46.77 78.0 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.0 -58.76 7.17 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.764 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 73.6 m-70 -65.81 -35.66 81.32 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -69.71 -55.84 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 31.2 m -64.06 -43.46 95.44 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 26.4 ttt -59.94 -33.13 71.49 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.112 0.482 . . . . 0.0 111.328 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.86 -63.77 1.16 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.057 0.456 . . . . 0.0 111.056 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -73.04 -38.56 66.47 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.832 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -92.76 -4.36 53.22 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.664 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 65.57 20.32 11.62 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.56 1.172 . . . . 0.0 110.273 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -73.96 162.43 29.06 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.424 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' CD ' ' HB2' ' A' ' 45' ' ' HIS . 26.7 mtpp -79.81 -46.75 16.36 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -155.71 153.92 30.7 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.497 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.58 141.09 13.81 Favored Glycine 0 CA--C 1.487 -1.676 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 p -143.45 142.72 31.3 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 13.2 t -88.69 109.11 19.86 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -110.95 116.88 31.97 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.73 7.23 5.99 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.509 1.124 . . . . 0.0 111.564 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 13.86 43.85 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.177 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.06 148.11 43.38 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.7 t -87.74 102.43 14.64 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.149 0.5 . . . . 0.0 110.752 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.71 111.99 24.32 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 122.034 0.921 . . . . 0.0 111.345 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.0 m -100.72 114.43 28.17 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.294 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -95.71 129.13 43.02 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.44 -175.72 2.85 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.462 ' NE2' ' HA ' ' A' ' 1' ' ' ALA . 4.4 t60 -129.23 125.94 38.01 Favored 'General case' 0 C--N 1.285 -2.203 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.295 -1.775 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.263 177.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -79.34 143.84 34.76 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -101.65 142.87 32.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 t -116.99 92.44 3.86 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.79 113.61 3.95 Favored Glycine 0 C--N 1.289 -2.036 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.337 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -96.5 125.85 41.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -87.83 100.52 12.93 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -70.41 126.81 30.69 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -81.87 0.11 41.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 111.021 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -121.53 122.32 39.42 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -91.05 174.81 7.21 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -77.27 -21.29 53.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.414 1.102 . . . . 0.0 110.484 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -35.95 1.4 Allowed Glycine 0 C--N 1.279 -2.596 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -150.2 158.73 44.47 Favored 'General case' 0 N--CA 1.419 -1.988 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -88.16 122.6 31.9 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.073 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -140.1 138.43 35.29 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -57.96 -64.53 0.88 Allowed 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.024 0.828 . . . . 0.0 112.008 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 94.6 mttt -74.33 -26.23 60.03 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -62.94 -52.93 61.14 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.26 -22.97 61.14 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.111 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.62 -61.53 2.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 74.7 m-70 -67.35 -36.0 80.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 -177.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -58.69 -53.86 53.63 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.979 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.9 m -69.62 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -66.03 -43.26 88.12 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.878 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -80.25 -48.88 12.39 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -88.82 -37.68 15.2 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.759 -0.777 . . . . 0.0 112.721 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -98.71 -2.39 38.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t70 68.96 15.15 8.88 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.085 0.945 . . . . 0.0 111.455 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -70.35 163.88 25.69 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.551 -0.718 . . . . 0.0 109.858 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.56 -43.76 11.15 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -157.9 136.77 11.45 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.089 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.78 159.69 13.83 Favored Glycine 0 C--N 1.29 -1.992 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -154.87 174.78 14.63 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 t -105.79 128.68 53.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -136.33 113.18 10.3 Favored 'General case' 0 N--CA 1.412 -2.342 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 63.74 17.91 10.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.381 1.073 . . . . 0.0 111.842 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.86 7.35 53.22 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.226 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -124.54 145.94 49.29 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 117.176 0.488 . . . . 0.0 110.401 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.8 m -87.23 115.93 24.97 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.78 126.88 52.69 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.898 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.9 m -114.52 116.48 28.88 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 75.7 m-85 -96.09 132.23 41.69 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.879 0.847 . . . . 0.0 112.513 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -114.86 -169.53 1.57 Allowed 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -124.97 114.69 19.46 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 45' ' ' HIS . 25.8 tptp -73.19 105.94 4.83 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.16 128.73 34.91 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.464 0.65 . . . . 0.0 110.822 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -120.69 119.17 32.04 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.79 127.61 9.2 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.76 -1.21 . . . . 0.0 114.023 -171.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -80.51 150.37 29.67 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 123.738 0.649 . . . . 0.0 110.084 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 m -140.55 111.41 6.98 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.267 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 p -161.46 98.26 1.12 Allowed 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 74.5 t-105 -105.99 -45.64 4.3 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -156.58 143.75 18.89 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.64 70.24 Favored Glycine 0 N--CA 1.445 -0.755 0 O-C-N 123.862 0.726 . . . . 0.0 112.31 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -124.04 134.98 53.29 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.62 134.38 46.07 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -135.6 129.54 33.05 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -66.85 -38.68 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 81.0 tttt -63.46 -51.92 63.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.877 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.09 -39.47 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 -50.93 71.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -55.23 -51.05 67.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.32 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 83.3 m-70 -70.1 -25.86 63.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -74.78 -58.63 3.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -56.36 -45.0 80.68 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.16 -41.86 80.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -78.27 -30.58 48.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.86 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -92.89 -53.48 4.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -114.92 18.3 16.5 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 61.98 30.83 18.12 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.89 49.93 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.61 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -77.32 -29.28 53.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.877 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -168.74 167.02 11.44 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.616 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.89 140.38 11.39 Favored Glycine 0 C--N 1.287 -2.188 0 N-CA-C 108.076 -2.01 . . . . 0.0 108.076 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -141.36 -179.23 6.01 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.25 130.53 48.95 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.42 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 34.6 t -145.11 129.15 17.53 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.9 m80 67.51 14.17 9.52 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.369 0.668 . . . . 0.0 110.676 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.65 16.99 66.94 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.484 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.92 169.42 16.31 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 40.9 t -85.6 116.03 23.65 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.304 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' CG ' ' HB3' ' A' ' 36' ' ' SER . 3.1 m-85 -112.11 119.21 37.65 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.087 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.32 126.13 34.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.1 119.07 38.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.89 0.852 . . . . 0.0 111.111 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.68 -175.3 2.68 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.447 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 15.8 t-80 -120.9 135.76 55.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.547 178.508 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -72.0 96.68 1.76 Allowed 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.658 0.742 . . . . 0.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -102.53 131.68 49.1 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.669 0.747 . . . . 0.0 111.709 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -116.68 99.8 7.38 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.035 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.94 121.08 5.67 Favored Glycine 0 N--CA 1.429 -1.778 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.086 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -77.97 133.71 37.98 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -79.34 125.95 30.17 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -58.25 137.22 57.27 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 124.238 0.961 . . . . 0.0 111.885 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -99.23 0.24 42.81 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.545 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m 64.32 -171.12 0.18 Allowed 'General case' 0 C--O 1.251 1.149 0 O-C-N 124.678 1.236 . . . . 0.0 109.163 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 m95 59.16 30.56 20.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.048 0.928 . . . . 0.0 111.84 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -107.18 30.15 6.47 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.62 -167.86 39.21 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -86.1 130.87 34.4 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -84.55 122.81 29.55 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.696 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -123.54 147.28 47.41 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 173.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -58.45 -77.52 0.03 OUTLIER 'General case' 0 C--O 1.252 1.234 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 18.5 ptpt -75.54 -19.45 59.32 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.682 -175.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HA ' ' CD2' ' A' ' 22' ' ' HIS . 64.8 mttp -73.5 -42.64 61.56 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -75.44 -24.73 57.08 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.43 -1.308 . . . . 0.0 108.279 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 8.7 t30 -54.36 -60.34 3.47 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.804 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 35.2 p80 -67.43 -35.91 80.17 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.749 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -57.19 -58.88 6.27 Favored 'General case' 0 C--O 1.204 -1.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.553 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 t -65.02 -36.05 83.14 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.657 0.265 . . . . 0.0 110.823 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ttt -56.64 -33.52 66.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.692 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.69 -43.21 7.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.296 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -70.61 -43.19 69.83 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.47 15.87 10.42 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.346 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 50.95 74.21 0.25 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.842 1.339 . . . . 0.0 110.449 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.7 164.29 12.89 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.672 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -77.87 -48.58 16.08 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -160.16 158.17 29.69 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.862 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.35 127.26 6.54 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -110.91 139.42 46.25 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.56 128.06 50.87 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -131.42 110.86 11.33 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.73 31.14 20.0 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.512 1.125 . . . . 0.0 112.281 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.02 0.58 58.64 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.366 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -112.6 134.6 54.04 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-N 117.672 0.736 . . . . 0.0 110.835 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.5 t -94.54 110.86 22.63 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.529 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.77 111.91 24.23 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -87.18 130.56 34.5 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.63 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -105.78 127.73 53.27 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-O 121.358 0.599 . . . . 0.0 110.963 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.47 173.81 7.78 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -109.17 152.65 24.84 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.264 1.832 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 172.544 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.28 86.24 7.08 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.599 0.714 . . . . 0.0 110.779 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -88.36 114.14 24.68 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.231 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.04 108.44 16.34 Favored 'General case' 0 C--N 1.279 -2.49 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.597 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.74 121.75 5.88 Favored Glycine 0 N--CA 1.425 -2.05 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -85.57 130.02 34.68 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -70.31 157.59 37.45 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.939 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -101.52 111.81 24.16 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -130.44 -1.13 4.44 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.042 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -148.54 17.07 1.03 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -115.02 123.57 49.39 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.628 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -130.94 176.13 8.49 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.28 -169.57 17.64 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.01 131.89 35.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -85.48 119.71 26.14 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 96.6 m-85 -113.89 132.53 55.89 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -63.32 -48.32 78.55 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 122.901 0.48 . . . . 0.0 111.734 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.16 -39.08 79.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 16' ' ' PHE . 65.1 mttm -71.58 -33.38 69.0 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.0 -43.01 99.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.46 -51.48 69.27 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.73 -39.37 93.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -57.33 -57.47 12.51 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.201 0.6 . . . . 0.0 110.305 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.76 -37.91 86.04 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.127 0.489 . . . . 0.0 111.473 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.69 -43.13 98.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.247 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.18 -45.55 22.85 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.608 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.66 -57.78 11.24 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.195 0.998 . . . . 0.0 112.038 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -137.46 16.68 2.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.47 71.81 0.54 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.457 1.123 . . . . 0.0 110.261 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB1' ' CE1' ' A' ' 44' ' ' TYR . . . -99.09 157.95 16.0 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.885 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.89 -36.52 64.78 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -160.96 165.55 29.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.007 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.95 125.73 5.93 Favored Glycine 0 N--CA 1.423 -2.21 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -103.56 143.25 32.98 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.3 t -102.08 103.56 14.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 46.9 t -105.37 110.09 22.31 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.353 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 57.95 27.09 14.23 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.06 0.944 . . . . 0.0 112.629 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.22 39.61 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.168 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.81 149.05 50.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 117.345 0.573 . . . . 0.0 111.476 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.15 123.95 33.32 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.676 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 36' ' ' SER . 34.4 m-85 -122.55 123.59 41.59 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.9 m -91.2 125.6 36.02 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.82 123.6 48.22 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 121.905 0.86 . . . . 0.0 113.255 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' CE1' ' HB1' ' A' ' 30' ' ' ALA . 38.4 m-85 -118.7 135.08 54.67 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.186 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -84.23 114.24 21.68 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.188 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.55 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -86.0 94.95 9.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.76 0.791 . . . . 0.0 112.573 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.19 138.57 51.16 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 47.1 t -117.7 95.25 4.86 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.675 0.75 . . . . 0.0 112.25 -173.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.97 106.29 3.31 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.531 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -99.34 161.91 13.35 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -68.89 127.81 34.44 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.94 134.92 33.95 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -80.29 -17.49 51.96 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.412 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -84.16 78.3 9.8 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.419 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -71.83 140.62 49.46 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.69 0.757 . . . . 0.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.31 149.2 26.25 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.344 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.29 -45.95 6.02 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.174 -1.971 . . . . 0.0 108.174 172.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -131.79 138.08 48.4 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.26 107.62 19.25 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.7 120.25 41.79 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -57.14 -39.85 76.0 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 123.499 0.499 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.35 -47.01 80.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.556 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.92 -41.34 91.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.836 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.32 -46.78 85.55 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.38 -61.38 2.53 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.516 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -60.27 -52.11 66.69 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -61.17 -46.4 90.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.372 0.42 . . . . 0.0 110.8 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.76 -36.33 73.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.667 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 51.0 ttp -64.17 -45.08 89.99 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.157 0.503 . . . . 0.0 110.041 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.12 -52.18 44.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.305 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -83.46 -57.14 3.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -97.95 -0.24 45.2 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.284 -170.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.49 67.46 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.972 1.368 . . . . 0.0 111.556 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.97 159.88 15.12 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.369 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -73.89 -41.0 62.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -166.23 166.06 17.1 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.195 -1.366 . . . . 0.0 107.767 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.66 133.71 6.83 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -127.17 174.82 8.62 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 117.388 0.594 . . . . 0.0 110.023 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.1 135.2 46.88 Favored 'General case' 0 N--CA 1.423 -1.799 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 51.5 m -144.48 120.65 10.82 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 176.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.0 m170 65.97 16.69 10.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.321 1.049 . . . . 0.0 111.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.32 12.46 65.2 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.766 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -120.02 145.74 46.54 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.86 124.32 25.9 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 36.2 m-85 -120.86 115.52 23.4 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.388 0.613 . . . . 0.0 110.543 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 129.63 34.78 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.689 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 89.8 m-85 -109.63 117.35 33.7 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.487 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 91.2 m-85 -110.29 173.2 6.44 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.358 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -89.43 115.49 26.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.173 0.511 . . . . 0.0 110.363 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.297 -1.688 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.614 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.246 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -76.96 99.62 5.32 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CD2' ' HH ' ' A' ' 32' ' ' TYR . 39.3 m80 -74.31 78.78 1.84 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.254 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 53.0 t -89.75 89.33 7.73 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.87 130.72 10.32 Favored Glycine 0 N--CA 1.413 -2.854 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.048 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -83.79 134.28 34.73 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' CD2' ' HH ' ' A' ' 41' ' ' TYR . 57.8 t-80 -71.68 154.47 41.35 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 p -61.29 97.7 0.07 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 123.36 0.413 . . . . 0.0 110.599 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -78.27 -39.29 40.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -89.17 119.77 29.96 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-N 113.94 -1.482 . . . . 0.0 107.649 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -82.79 -7.36 59.66 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -102.26 79.4 1.85 Allowed 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.22 86.41 0.16 Allowed Glycine 0 C--N 1.297 -1.59 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -53.72 144.6 17.59 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 124.315 1.046 . . . . 0.0 111.528 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HB2' ' C ' ' A' ' 38' ' ' GLY . 50.4 t -72.3 97.7 2.06 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.958 -176.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -129.97 168.77 16.16 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -110.49 -63.8 1.35 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.109 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.74 -43.77 83.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -66.24 -34.78 78.78 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -67.84 -41.35 83.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 32' ' ' TYR . 9.1 t30 -58.21 -51.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.628 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -71.03 -27.92 64.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.65 -55.94 25.15 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -64.78 -37.39 87.44 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.249 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.7 tpp -59.46 -40.82 88.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.438 0.695 . . . . 0.0 109.85 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -79.18 -45.17 20.44 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.482 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 23.6 tptm -60.17 -60.5 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.693 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 37.6 mt-10 -128.55 5.71 5.65 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 64.37 75.5 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.259 1.028 . . . . 0.0 108.23 -174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.25 171.16 8.39 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.23 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -80.93 -45.23 17.03 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.501 ' HH ' ' CD2' ' A' ' 3' ' ' HIS . 15.2 p90 -163.0 150.15 13.0 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.062 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.93 146.96 16.67 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -149.59 150.43 32.2 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.85 137.47 32.74 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -143.27 127.64 17.8 Favored 'General case' 0 N--CA 1.408 -2.543 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 65.79 10.72 7.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.092 0.957 . . . . 0.0 112.273 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.4 ' C ' ' HB2' ' A' ' 15' ' ' CYS . . . 97.18 10.0 55.02 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.544 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.84 156.49 41.26 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 120.857 0.361 . . . . 0.0 110.759 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.9 113.02 20.66 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.485 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.443 ' HH ' ' CD2' ' A' ' 7' ' ' HIS . 2.4 m-85 -104.99 134.86 47.38 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.6 m -101.85 121.82 42.82 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.049 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.64 127.27 51.1 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.403 0.62 . . . . 0.0 110.839 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 72.1 m-85 -117.77 170.35 8.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -104.96 103.39 12.95 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.486 -0.886 . . . . 0.0 108.643 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -90.74 111.7 23.18 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -120.46 109.94 15.89 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.761 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m -100.96 93.32 5.45 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.381 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.0 102.32 1.32 Allowed Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -77.46 138.59 39.33 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -69.48 141.97 53.85 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.924 0.765 . . . . 0.0 109.295 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -60.88 100.62 0.12 Allowed 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.256 1.022 . . . . 0.0 111.084 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.34 -33.35 43.12 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -96.42 85.56 3.95 Favored 'General case' 0 N--CA 1.407 -2.604 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.439 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -93.18 -23.86 18.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.611 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.85 103.34 7.73 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.277 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.63 -178.57 35.68 Favored Glycine 0 N--CA 1.426 -1.979 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -102.75 126.13 49.75 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 118.592 1.196 . . . . 0.0 108.927 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -79.43 127.2 31.81 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.15 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.92 142.08 36.47 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -60.48 -64.72 0.85 Allowed 'General case' 0 C--N 1.316 -0.856 0 O-C-N 123.862 0.726 . . . . 0.0 111.626 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -59.98 -39.54 86.05 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.071 0.232 . . . . 0.0 111.487 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -51.22 -63.66 1.06 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.293 0.995 . . . . 0.0 111.274 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -73.84 -21.24 60.19 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.517 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -64.28 -61.03 2.5 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -67.02 -32.05 73.01 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.342 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -59.03 -64.51 0.92 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 123.847 0.717 . . . . 0.0 109.968 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m -59.08 -36.37 74.98 Favored 'General case' 0 C--O 1.25 1.107 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.577 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 49.7 ttm -58.3 -38.81 77.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.475 0.71 . . . . 0.0 111.369 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.81 -41.63 9.12 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.169 0.509 . . . . 0.0 110.086 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.18 -55.2 33.88 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 125.425 1.49 . . . . 0.0 112.859 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -132.56 16.14 4.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.713 0.292 . . . . 0.0 111.44 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.577 ' HA ' ' O ' ' A' ' 25' ' ' MET . 6.1 m-20 55.29 64.65 1.71 Allowed 'General case' 0 CA--C 1.493 -1.244 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.519 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -87.37 156.62 19.52 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.664 175.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.24 -49.4 35.41 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -163.39 145.41 9.76 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.633 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.58 153.49 16.8 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -148.47 164.24 34.77 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 t -106.0 110.4 22.65 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -114.84 107.5 15.5 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.14 25.4 15.21 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 112.292 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.71 8.1 59.66 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.772 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -120.26 134.72 55.2 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.5 m -80.55 101.45 9.16 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.803 0.335 . . . . 0.0 111.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.14 133.23 42.06 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.0 m -119.92 123.93 44.77 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 121.16 0.505 . . . . 0.0 109.926 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -93.24 118.22 30.99 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.717 -173.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.437 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 95.3 m-85 -109.7 168.42 9.42 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.403 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -70.43 110.24 5.23 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.854 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.067 174.207 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -77.37 143.58 38.6 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 121.093 0.473 . . . . 0.0 110.358 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.07 107.69 18.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.126 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.23 92.14 3.83 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.67 135.02 12.03 Favored Glycine 0 C--N 1.299 -1.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.389 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -93.38 148.13 22.33 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -58.67 152.0 19.66 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 123.818 0.699 . . . . 0.0 110.209 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.5 m -93.85 162.14 14.03 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.28 0.562 . . . . 0.0 112.08 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -112.56 5.49 17.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 171.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -75.89 11.64 1.35 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -72.18 -34.77 68.69 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -104.84 83.26 1.98 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.12 -160.45 28.16 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.649 -2.58 . . . . 0.0 106.649 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 13.5 tppt? -139.96 156.05 46.84 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 118.677 1.239 . . . . 0.0 109.198 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 51.6 t -76.65 122.6 24.9 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 95.4 m-85 -128.11 102.57 6.78 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 174.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 34' ' ' SER . 44.9 t-80 -52.28 -57.16 10.59 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -62.79 -46.86 86.04 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-O 120.558 0.218 . . . . 0.0 110.965 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -58.59 -54.4 47.47 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -65.01 -37.34 87.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.619 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.3 -51.88 67.92 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 120.667 0.27 . . . . 0.0 110.667 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -80.29 -28.26 38.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -59.92 -50.26 74.46 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.53 -46.92 77.7 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.278 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.72 -38.53 85.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.592 0.234 . . . . 0.0 111.327 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -84.29 -64.62 1.13 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.013 0.435 . . . . 0.0 111.748 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -74.12 -40.99 62.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -98.29 -2.84 38.55 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t70 54.32 71.08 0.54 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.246 1.022 . . . . 0.0 110.196 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.08 170.46 8.84 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.725 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -84.01 -49.19 9.17 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -166.36 153.01 9.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.65 131.41 8.05 Favored Glycine 0 C--N 1.293 -1.853 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.516 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 10.6 t -124.67 166.6 15.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -97.36 127.64 43.49 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.0 t -130.87 110.79 11.55 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.12 16.3 10.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.966 0.906 . . . . 0.0 111.256 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.89 16.71 35.01 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -127.31 151.37 48.84 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.658 0.266 . . . . 0.0 111.253 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 72.8 m -88.45 99.38 12.24 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.019 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -95.55 114.45 26.21 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.241 0.543 . . . . 0.0 109.693 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.7 m -94.53 124.39 38.53 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.977 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.61 130.14 45.14 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.786 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -112.22 175.64 5.35 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.066 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -95.91 104.28 16.21 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.38 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.544 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -120.88 123.27 42.11 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -92.25 128.73 38.2 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.232 0.539 . . . . 0.0 110.196 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.8 m -125.24 114.92 19.6 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 42' ' ' CYS . . . -90.22 137.96 14.25 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 62.2 pttt -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -76.9 122.46 24.88 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -77.34 81.48 3.82 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-O 121.982 0.896 . . . . 0.0 112.714 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -81.04 -28.75 35.25 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 t -77.12 118.33 19.55 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 170.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -75.97 119.51 20.04 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.412 0.625 . . . . 0.0 112.351 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.6 125.12 49.92 Favored 'General case' 0 CA--C 1.489 -1.395 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 172.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.36 -37.59 90.63 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -128.12 174.93 8.82 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 121.893 0.854 . . . . 0.0 110.44 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -140.91 120.19 13.0 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 113.723 -1.58 . . . . 0.0 108.921 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.73 112.46 19.79 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -55.73 -39.47 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.826 0.704 . . . . 0.0 112.876 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.07 -46.96 75.86 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.004 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.38 -48.45 81.22 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.943 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.97 -43.14 86.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.469 0.481 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -61.51 -58.75 6.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.308 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -67.5 -32.15 72.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.42 -62.62 1.32 Allowed 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.363 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 m -63.95 -35.93 82.31 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 50.6 ttm -61.13 -35.87 78.2 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.694 0.283 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -88.82 -56.5 3.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.133 0.492 . . . . 0.0 110.217 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.85 -45.44 92.58 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.63 13.22 13.32 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.817 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 51.71 67.75 0.91 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 122.324 1.059 . . . . 0.0 110.013 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.45 167.59 9.64 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.854 -179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -79.91 -43.39 22.29 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -169.25 161.35 10.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.949 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 139.11 12.51 Favored Glycine 0 C--N 1.294 -1.769 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -145.04 173.67 11.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 117.715 0.757 . . . . 0.0 109.458 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.2 m -102.1 133.14 47.42 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.186 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.486 ' HB3' ' CD1' ' A' ' 41' ' ' TYR . 42.8 t -147.99 128.73 14.25 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 m80 69.53 2.4 3.74 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.069 0.948 . . . . 0.0 111.637 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.07 5.26 62.54 Favored Glycine 0 C--O 1.239 0.458 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.82 157.98 17.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 C-N-CA 123.5 0.72 . . . . 0.0 110.274 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -94.1 111.11 22.8 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.496 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 56.9 m-85 -109.45 127.36 54.35 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' HE2' ' A' ' 6' ' ' LYS . 61.4 m -105.53 122.46 46.05 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.5 129.37 43.88 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -124.61 -179.43 4.5 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -89.61 136.7 32.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.317 -0.816 0 C-N-CA 123.384 0.674 . . . . 0.0 110.996 -179.681 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -93.3 124.96 37.64 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-O 121.276 0.56 . . . . 0.0 109.979 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.54 134.72 22.82 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.301 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.54 137.64 52.02 Favored 'General case' 0 C--N 1.278 -2.521 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.948 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.05 133.98 11.59 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.484 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -116.92 135.0 54.05 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -89.77 136.46 33.02 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 m -71.05 149.94 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.436 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -64.91 -48.7 73.21 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m 63.0 85.64 0.13 Allowed 'General case' 0 C--O 1.251 1.138 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.867 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -76.76 -46.32 25.66 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.933 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -172.7 91.9 0.11 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.425 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.93 156.94 27.0 Favored Glycine 0 N--CA 1.423 -2.183 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -104.78 137.43 42.59 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.9 t -82.84 117.51 22.77 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.429 0.633 . . . . 0.0 112.229 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.68 145.06 44.31 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -58.84 -47.74 83.76 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -65.36 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.838 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -63.82 -52.83 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.004 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.01 -40.37 95.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.891 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -69.38 -53.15 20.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.091 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 85.0 m-70 -65.4 -29.06 69.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 52.6 t-105 -71.48 -65.14 0.79 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.6 m -65.96 -33.85 76.77 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -171.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 26.7 ttt -83.59 -33.85 25.27 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 119.601 1.092 . . . . 0.0 109.424 -173.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 34.5 mt-10 -88.54 -30.58 19.21 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.428 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 23' ' ' TRP . 19.1 tptm -98.58 -50.94 4.09 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -91.62 -7.11 50.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.405 0.621 . . . . 0.0 109.62 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' MET . 35.3 t70 58.72 33.56 23.16 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.137 1.375 . . . . 0.0 109.683 -176.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.8 163.72 25.19 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.582 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.47 -46.19 84.12 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -171.41 167.87 6.68 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.469 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.23 141.7 13.01 Favored Glycine 0 N--CA 1.436 -1.364 0 N-CA-C 109.746 -1.341 . . . . 0.0 109.746 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.8 m -141.67 168.7 19.13 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 117.368 0.584 . . . . 0.0 110.43 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.78 131.91 54.5 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -132.86 110.76 10.54 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 67.92 19.25 9.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.816 0.846 . . . . 0.0 111.267 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.32 4.68 73.65 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.766 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -110.01 141.14 43.24 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.29 119.31 26.43 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.461 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -119.06 124.81 47.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.8 m -109.12 131.6 54.91 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.79 128.43 49.55 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.17 0.509 . . . . 0.0 111.769 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -115.92 154.93 28.88 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -72.84 107.75 5.42 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 126.616 1.966 . . . . 0.0 114.273 -176.507 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -90.09 115.16 27.14 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -72.64 128.22 34.92 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.574 0.546 . . . . 0.0 109.777 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 67.0 m -128.68 116.28 19.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.551 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.0 109.58 3.38 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -80.41 151.11 29.52 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -62.25 152.84 32.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.614 0.721 . . . . 0.0 110.95 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -80.3 72.47 7.15 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.518 -174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -92.23 -0.47 57.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.429 1.109 . . . . 0.0 109.065 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -105.84 36.07 2.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 172.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -44.68 139.39 2.94 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 127.152 2.181 . . . . 0.0 113.998 -172.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.96 129.56 25.97 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.34 -62.11 4.97 Favored Glycine 0 CA--C 1.499 -0.924 0 O-C-N 123.945 0.778 . . . . 0.0 113.451 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -92.13 133.44 35.76 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.56 91.13 7.36 Favored 'General case' 0 C--N 1.276 -2.63 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 99.1 m-85 -77.52 115.22 17.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.68 -72.41 0.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.039 0.837 . . . . 0.0 112.541 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 60.4 tttm -68.26 -35.67 78.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.162 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 16' ' ' PHE . 59.5 tptt -64.47 -50.01 69.16 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -73.1 -29.68 63.1 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.609 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -55.11 -55.85 26.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.869 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 52.5 m-70 -70.87 -28.98 64.97 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.444 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -59.31 -60.29 4.09 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.68 -41.34 88.26 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.596 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -57.87 -43.56 86.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -57.62 2.83 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -72.57 -41.39 65.77 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -95.77 -4.38 44.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -172.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.06 22.93 5.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.346 1.069 . . . . 0.0 110.102 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -78.79 162.9 25.78 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.246 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.34 -38.8 15.89 Favored 'General case' 0 C--N 1.283 -2.301 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.233 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -161.61 150.19 15.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.608 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.16 132.73 10.84 Favored Glycine 0 C--N 1.296 -1.642 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 t -136.46 144.51 44.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 117.59 0.695 . . . . 0.0 109.981 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.93 128.01 33.26 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.394 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 21.0 t -144.13 121.49 11.63 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.3 m80 67.67 13.59 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.356 1.062 . . . . 0.0 111.588 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.58 -9.43 62.45 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -102.88 158.09 16.51 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 120.622 0.248 . . . . 0.0 110.641 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 34.0 m-85 -95.34 116.85 29.33 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.4 m -94.16 118.12 31.09 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 30.8 m-85 -91.74 127.75 37.31 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.545 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -120.92 179.14 4.46 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -104.61 137.11 42.94 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.941 176.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.295 -1.784 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.343 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 60.1 pttt -138.41 83.47 1.97 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.951 0.881 . . . . 0.0 110.436 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -105.65 92.62 4.26 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.712 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -96.96 111.74 23.81 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.363 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.39 156.31 22.63 Favored Glycine 0 N--CA 1.433 -1.56 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.105 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -61.73 139.0 58.37 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.596 1.158 . . . . 0.0 110.808 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -72.52 101.43 2.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 168.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 t -86.92 109.72 19.53 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 122.234 1.016 . . . . 0.0 112.389 -168.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -98.15 -32.57 11.53 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.25 -1.341 . . . . 0.0 107.687 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -95.31 104.56 16.45 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.421 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' CZ2' ' HB3' ' A' ' 8' ' ' SER . 3.4 m-90 -128.66 99.73 5.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -134.33 105.64 6.71 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.17 -166.68 12.21 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -92.74 151.62 19.95 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.8 t -86.66 114.18 23.15 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.465 0.65 . . . . 0.0 110.937 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.99 113.99 23.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -48.25 -53.6 16.56 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.54 -38.69 77.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.78 -32.87 70.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.8 -42.45 95.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.264 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.26 -48.84 73.42 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.788 0.328 . . . . 0.0 111.33 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -73.0 -33.3 65.69 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.235 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -63.6 -48.33 77.78 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.88 -43.99 97.72 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.186 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.15 -47.74 83.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 0.0 110.352 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.2 -51.69 29.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.79 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.97 -40.96 10.83 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -170.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HB3' ' HH ' ' A' ' 44' ' ' TYR . 55.2 mm-40 -103.94 -15.3 15.68 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -169.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.93 82.82 0.16 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.067 0.854 . . . . 0.0 109.23 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.44 6.26 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.865 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -82.72 -48.73 10.53 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -157.6 151.84 24.7 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.0 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' A' ' 34' ' ' SER . . . -114.21 149.48 18.74 Favored Glycine 0 CA--C 1.479 -2.206 0 N-CA-C 107.502 -2.239 . . . . 0.0 107.502 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 33' ' ' GLY . 54.5 m -150.92 174.23 13.35 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 117.268 0.534 . . . . 0.0 110.47 -175.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.1 t -111.42 112.39 24.1 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -110.64 105.56 14.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.708 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 68.21 17.21 9.37 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.484 1.113 . . . . 0.0 111.459 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 5.12 58.23 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.58 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -114.13 136.03 53.38 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -74.29 129.74 38.37 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.487 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -138.68 143.66 39.27 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.327 0.584 . . . . 0.0 112.402 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.94 137.48 45.87 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -113.89 133.53 55.38 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.278 0.561 . . . . 0.0 111.563 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HH ' ' HB3' ' A' ' 28' ' ' GLU . 57.8 m-85 -123.51 -171.69 2.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.658 -176.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.53 145.19 29.89 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.989 172.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 35.5 m . . . . . 0 C--N 1.284 -2.248 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 N--CA 1.432 -1.33 0 CA-C-O 121.497 0.665 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -110.22 105.65 14.79 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -93.31 96.44 9.97 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 126.54 8.12 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.402 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . 24.4 tptm -65.71 142.96 57.83 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 124.432 1.093 . . . . 0.0 109.393 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -72.98 111.88 8.5 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 m -74.68 83.47 2.09 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-O 121.645 0.736 . . . . 0.0 112.846 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 8.5 23.0 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.001 171.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -88.54 103.92 16.34 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -77.36 138.8 39.53 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.393 0.616 . . . . 0.0 110.415 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -141.59 150.99 42.76 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.79 -74.06 0.51 Allowed Glycine 0 C--N 1.315 -0.609 0 O-C-N 123.524 0.515 . . . . 0.0 113.405 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -113.38 138.63 49.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.29 129.13 36.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 120.916 0.389 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -137.02 129.1 29.43 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -50.74 -54.09 26.19 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.505 0.722 . . . . 0.0 112.394 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 64.5 tttm -61.02 -46.86 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.948 0.404 . . . . 0.0 111.033 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -71.12 -30.32 66.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.679 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.95 -44.51 84.8 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.5 -52.52 65.3 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.542 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 27.9 m-70 -57.14 -51.86 67.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.812 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.73 -55.53 33.93 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.514 0.509 . . . . 0.0 111.054 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -56.16 -42.2 76.64 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 54.4 ttm -61.27 -48.43 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.297 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -71.52 -39.42 70.76 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.054 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 28.6 tptp -66.52 -56.34 11.28 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 124.775 1.23 . . . . 0.0 113.3 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 24.4 mt-10 -139.4 25.66 2.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 54.83 59.32 4.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.697 1.237 . . . . 0.0 109.659 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.84 147.89 24.16 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 31' ' ' LYS . 9.9 mmpt? -70.41 -41.03 73.51 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.943 0.878 . . . . 0.0 109.118 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB2' ' A' ' 31' ' ' LYS . 25.5 p90 -160.41 167.92 26.29 Favored 'General case' 0 N--CA 1.412 -2.338 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.462 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 140.64 11.92 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -130.87 147.13 52.49 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -96.01 118.91 33.55 Favored 'General case' 0 N--CA 1.416 -2.136 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 23.3 t -136.66 127.15 26.8 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 68.07 15.21 9.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.422 1.089 . . . . 0.0 110.337 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.08 17.36 74.64 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.589 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.89 150.26 40.17 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-O 121.161 0.505 . . . . 0.0 110.404 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -85.09 109.99 18.64 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 39.4 m-85 -103.08 121.15 42.01 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.216 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -89.79 131.72 35.59 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -111.54 126.77 55.34 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.567 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 6' ' ' LYS . 39.6 m-85 -107.7 179.5 4.21 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.464 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -126.33 109.59 12.42 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 C--N 1.298 -1.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.855 -178.572 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.299 0.571 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -85.83 143.35 28.32 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.7 m -120.64 112.82 19.37 Favored 'General case' 0 C--N 1.28 -2.428 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.841 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.31 117.31 4.5 Favored Glycine 0 N--CA 1.423 -2.228 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -74.94 120.0 19.87 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 72.2 m80 -61.79 142.77 57.09 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.764 -172.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -71.22 147.83 47.86 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.942 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.04 -10.16 57.22 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m 71.14 175.58 0.29 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.84 1.256 . . . . 0.0 109.614 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.3 m95 66.54 20.81 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.344 0.658 . . . . 0.0 112.598 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.34 132.84 47.77 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -46.94 58.79 Favored Glycine 0 CA--C 1.503 -0.667 0 O-C-N 124.024 0.827 . . . . 0.0 112.267 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -150.61 135.71 17.69 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 172.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.11 88.98 6.43 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -77.58 150.32 34.73 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.855 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.22 -74.18 0.5 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -71.26 -41.64 69.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -62.91 -44.53 95.84 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.249 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.6 -33.66 66.87 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.21 -53.13 61.77 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.197 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -68.71 -31.81 71.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.916 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -60.46 -60.55 3.63 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.1 m -58.85 -42.02 88.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 53.1 ttp -61.0 -28.55 69.11 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.873 0.469 . . . . 0.0 112.241 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -103.62 -45.15 4.9 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.757 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -68.09 -45.42 73.8 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -113.7 0.84 14.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.983 0.421 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' MET . 18.4 m-20 61.98 48.59 5.1 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.078 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.63 164.83 24.31 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.382 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -85.31 -43.66 13.52 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.52 149.03 20.11 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -112.56 138.51 15.03 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -133.28 152.42 51.93 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 117.38 0.59 . . . . 0.0 110.559 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.3 t -96.51 113.57 25.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 18.8 m -118.59 107.88 14.27 Favored 'General case' 0 N--CA 1.409 -2.498 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.723 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.95 18.19 11.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.125 0.97 . . . . 0.0 112.09 173.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 5.78 54.33 Favored Glycine 0 C--O 1.243 0.688 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.295 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.47 136.21 54.84 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 123.199 0.6 . . . . 0.0 109.866 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.48 120.53 27.91 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.277 0.561 . . . . 0.0 110.393 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 7' ' ' HIS . 41.9 m-85 -113.01 124.23 52.15 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.117 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 60.9 m -106.42 128.38 54.01 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.036 0.446 . . . . 0.0 110.57 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -100.46 130.53 46.55 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.791 -172.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -122.03 174.55 6.85 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.28 128.44 53.98 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.798 173.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 tptt . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.91 138.32 31.64 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.042 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.2 m -126.93 118.98 25.64 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.17 -171.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.0 117.24 4.37 Favored Glycine 0 N--CA 1.433 -1.528 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 44' ' ' TYR . 67.7 mttm -108.36 170.4 8.04 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 120.82 0.343 . . . . 0.0 110.379 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -72.48 132.42 43.83 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -75.92 157.6 33.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.705 0.288 . . . . 0.0 110.388 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -119.45 -13.45 9.23 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.593 0.711 . . . . 0.0 110.07 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -136.55 121.36 18.63 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -119.07 144.76 46.4 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.63 159.63 19.8 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -24.41 64.97 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 121.313 0.396 . . . . 0.0 113.633 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 87.1 tttt -144.43 156.57 44.26 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 t -81.48 81.46 7.59 Favored 'General case' 0 N--CA 1.413 -2.282 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.625 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 96.7 m-85 -83.09 101.77 11.38 Favored 'General case' 0 N--CA 1.415 -2.199 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -54.52 -50.73 67.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -171.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -71.78 -38.52 70.29 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -71.29 -49.62 40.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.905 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.23 -26.72 64.94 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.65 -59.35 4.83 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.676 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.71 -28.91 62.95 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.179 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -58.82 -57.28 13.73 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.53 -29.52 66.02 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 27.6 ttt -62.35 -37.71 86.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -85.9 -42.46 14.07 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.767 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -56.69 -59.47 4.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 124.339 1.056 . . . . 0.0 111.303 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -120.38 13.07 11.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' MET . 26.5 t70 59.69 35.14 22.26 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.62 1.2 . . . . 0.0 109.893 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 142.01 58.58 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -68.97 -42.29 76.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -165.35 133.94 3.26 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.126 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.56 135.05 12.06 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -138.37 156.26 47.77 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 122.334 -0.509 . . . . 0.0 110.649 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.47 119.71 24.55 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.651 0.739 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 45.0 m -133.65 117.71 17.32 Favored 'General case' 0 N--CA 1.409 -2.496 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 m170 72.98 5.42 5.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 125.073 1.349 . . . . 0.0 110.754 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.91 60.68 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -101.5 156.23 17.59 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.04 116.76 28.32 Favored 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 39.9 m-85 -111.81 134.15 53.56 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.202 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.12 119.5 31.3 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.787 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -98.79 126.66 44.49 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.475 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 85.0 m-85 -114.94 -170.96 1.85 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -120.19 134.03 55.35 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.261 1.688 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.773 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 N--CA 1.438 -1.054 0 CA-C-O 121.298 0.57 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.476 ' CD2' ' HE2' ' A' ' 32' ' ' TYR . 34.8 m80 -123.44 145.05 49.11 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.418 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 19.7 t -139.32 121.83 16.2 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 124.521 1.128 . . . . 0.0 109.258 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.19 112.13 4.23 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.689 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -106.78 152.16 24.22 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.64 126.25 29.09 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -70.56 116.2 10.62 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.352 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -78.53 -14.1 59.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.003 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.8 t -78.62 140.42 38.44 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -80.65 79.06 7.35 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.969 0.89 . . . . 0.0 110.909 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.46 78.26 1.25 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.984 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.79 45.61 Favored Glycine 0 N--CA 1.427 -1.943 0 CA-C-N 114.152 -1.385 . . . . 0.0 112.234 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.95 115.77 21.94 Favored 'General case' 0 N--CA 1.421 -1.899 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -83.55 98.11 9.4 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.601 -168.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.8 109.41 4.58 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -48.59 -50.23 33.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.277 0.631 . . . . 0.0 111.907 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -58.08 -44.25 87.47 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.519 . . . . 0.0 111.137 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -68.51 -53.75 21.23 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.537 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 58.8 m -62.64 -37.31 85.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.218 -174.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' HA ' ' H ' ' A' ' 33' ' ' GLY . 42.5 t30 -57.65 -59.21 5.55 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.925 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -71.24 -27.5 63.51 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.193 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.35 -61.62 2.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.351 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.25 -31.57 71.14 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.227 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 50.3 ttm -60.95 -38.24 85.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.887 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.53 -35.24 14.41 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.22 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -72.65 -60.54 2.18 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.89 15.19 16.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' ' 25' ' ' MET . 7.1 m-20 52.65 58.88 4.91 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.694 -1.139 . . . . 0.0 113.189 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.09 164.43 15.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.038 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -73.06 -38.64 66.38 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.476 ' HE2' ' CD2' ' A' ' 3' ' ' HIS . 54.9 p90 -166.81 163.7 16.4 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.134 174.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' H ' ' HA ' ' A' ' 21' ' ' ASN . . . -123.49 138.93 11.82 Favored Glycine 0 N--CA 1.428 -1.892 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -142.6 152.84 42.94 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 117.64 0.72 . . . . 0.0 111.082 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -83.09 120.65 26.03 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.956 0.884 . . . . 0.0 112.11 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -122.08 113.91 20.18 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-N 114.478 -1.237 . . . . 0.0 107.674 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 63.56 17.86 10.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.872 0.869 . . . . 0.0 113.208 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 15.36 39.95 Favored Glycine 0 C--O 1.219 -0.833 0 C-N-CA 119.695 -1.241 . . . . 0.0 112.792 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.13 153.69 51.66 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 20' ' ' CYS . 74.5 m -104.02 117.67 34.85 Favored 'General case' 0 C--N 1.274 -2.711 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.609 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -93.23 151.88 19.54 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -100.24 124.45 45.71 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.688 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 50.7 m-85 -103.49 119.54 39.09 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-O 121.49 0.662 . . . . 0.0 110.694 -178.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -124.99 -157.44 0.78 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -112.96 138.68 49.46 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.301 -1.507 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 121.157 0.503 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -94.19 126.78 39.63 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.95 107.18 18.6 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.823 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.54 134.24 12.43 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.157 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.38 116.95 16.65 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.489 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 53.7 m80 -75.99 149.96 37.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.234 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -81.18 83.47 6.8 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.474 0.654 . . . . 0.0 109.806 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.0 -60.05 1.61 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -113.87 15.21 18.63 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.177 0.513 . . . . 0.0 111.347 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -118.05 94.82 4.65 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.098 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -114.2 155.27 26.41 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.062 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.73 -162.88 28.56 Favored Glycine 0 N--CA 1.424 -2.15 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 16' ' ' PHE . 86.8 tttt -86.23 142.38 28.63 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 21.1 t -81.86 95.99 7.49 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.788 0.804 . . . . 0.0 110.17 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 91.6 m-85 -95.6 107.61 19.81 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 175.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -51.51 -57.49 8.9 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.303 0.641 . . . . 0.0 112.612 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.94 -40.1 63.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.918 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.69 -42.33 82.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.524 -0.47 . . . . 0.0 112.034 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 96.4 m -68.87 -37.24 78.93 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -55.89 -54.43 44.72 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.463 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -71.56 -32.02 67.63 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -58.03 -52.93 63.5 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.41 -44.25 71.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.017 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 28.2 ttt -61.02 -45.36 95.11 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.858 0.463 . . . . 0.0 111.511 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.0 -56.91 4.03 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.21 -37.73 32.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -103.4 -2.49 26.89 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.541 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' MET . 28.2 t70 52.92 55.67 8.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 123.129 1.442 . . . . 0.0 110.71 -174.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.9 18.93 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.349 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 45' ' ' HIS . 65.2 mttm -74.29 -56.19 5.17 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -151.19 138.36 19.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.97 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -106.2 116.65 5.18 Favored Glycine 0 N--CA 1.428 -1.897 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 m -113.1 172.02 7.19 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 t -107.29 124.18 49.41 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.5 m -112.73 98.03 6.95 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.421 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 53.9 35.68 22.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.127 0.971 . . . . 0.0 112.966 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . . . 102.66 -2.32 49.19 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.239 -0.982 . . . . 0.0 113.851 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -118.77 141.49 48.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 117.414 0.607 . . . . 0.0 110.621 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 84.1 m -80.86 112.03 17.87 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.996 0.427 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.489 ' CE2' ' HA ' ' A' ' 7' ' ' HIS . 9.5 m-85 -107.08 113.11 26.37 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.614 0.721 . . . . 0.0 111.067 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 55.6 m -99.12 115.94 30.19 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.785 -177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -93.75 126.1 38.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.082 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.06 175.64 5.41 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 4.4 p80 -91.63 133.28 35.7 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.359 -0.936 . . . . 0.0 108.775 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--N 1.293 -1.848 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.025 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -68.86 126.88 31.15 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 121.757 0.789 . . . . 0.0 109.281 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.35 105.57 16.2 Favored 'General case' 0 C--N 1.26 -3.288 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.13 127.32 8.5 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.659 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.67 128.55 56.42 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.27 118.81 15.61 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 40' ' ' CYS . 46.6 t -110.23 165.8 11.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.602 0.715 . . . . 0.0 111.683 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.91 -13.13 51.79 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 73.2 174.74 0.28 Allowed 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.844 1.258 . . . . 0.0 112.156 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -95.26 121.18 36.65 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.75 113.19 5.31 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.327 0.584 . . . . 0.0 110.201 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.58 -152.62 23.99 Favored Glycine 0 N--CA 1.422 -2.258 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -93.56 134.31 35.96 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.2 t -89.29 129.32 35.86 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.279 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.94 141.46 48.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.71 -54.08 50.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -64.58 -41.68 96.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.176 0.512 . . . . 0.0 110.839 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.87 -34.81 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.1 -41.01 95.34 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.85 -53.8 52.39 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.137 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.99 -38.26 90.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.43 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -59.51 -60.03 4.51 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 123.427 0.454 . . . . 0.0 110.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.69 -40.39 79.35 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.494 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 27.2 ttt -67.65 -43.74 79.55 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.898 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.46 -36.27 39.05 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.343 0.592 . . . . 0.0 111.021 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.91 -52.15 10.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.52 12.37 8.67 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.636 -0.826 . . . . 0.0 111.996 -172.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' MET . 33.0 t70 51.78 73.46 0.32 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 122.597 1.189 . . . . 0.0 111.37 -171.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -103.26 168.42 9.19 Favored 'General case' 0 C--N 1.274 -2.677 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 45' ' ' HIS . 27.8 mtpp -82.27 -35.03 28.47 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 121.554 0.693 . . . . 0.0 109.142 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -166.29 177.61 6.74 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.487 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.71 23.1 Favored Glycine 0 N--CA 1.417 -2.568 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -142.15 142.75 32.76 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 117.579 0.689 . . . . 0.0 109.696 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.53 118.18 26.83 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 37.9 t -116.86 109.02 16.55 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 65.97 13.87 9.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.866 0.866 . . . . 0.0 111.639 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 6.06 40.79 Favored Glycine 0 N--CA 1.434 -1.444 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.034 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -124.29 152.8 42.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.476 0.638 . . . . 0.0 110.374 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.1 m -79.9 127.26 32.03 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 20.6 m-85 -124.43 127.01 46.88 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 173.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -96.5 137.01 36.21 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.68 129.69 56.57 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.657 0.741 . . . . 0.0 111.785 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -116.98 -175.46 2.78 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 31' ' ' LYS . 42.7 p-80 -100.55 134.19 43.88 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 m . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 123.516 0.726 . . . . 0.0 109.064 174.04 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 98.0 mttt . . . . . 0 N--CA 1.436 -1.171 0 CA-C-O 120.328 0.109 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -75.28 117.01 16.63 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -119.91 111.77 18.36 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.007 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.05 102.57 2.51 Favored Glycine 0 CA--C 1.487 -1.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.702 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.56 132.04 35.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 120.975 0.417 . . . . 0.0 110.379 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -78.35 103.54 8.36 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 170.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -62.06 168.18 3.44 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -53.19 -17.84 1.93 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t 73.45 94.21 0.08 Allowed 'General case' 0 C--O 1.241 0.658 0 CA-C-O 122.483 1.135 . . . . 0.0 112.002 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -113.6 101.29 9.19 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.71 74.25 4.3 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.149 -1.02 . . . . 0.0 113.718 -170.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.93 -77.53 1.17 Allowed Glycine 0 N--CA 1.423 -2.193 0 N-CA-C 105.306 -3.117 . . . . 0.0 105.306 168.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -147.16 133.92 20.04 Favored 'General case' 0 N--CA 1.411 -2.418 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.68 105.25 14.44 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 120.987 0.423 . . . . 0.0 109.977 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 79.6 m-85 -104.33 113.15 26.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.28 -39.49 94.74 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 122.949 0.156 . . . . 0.0 111.172 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -66.49 -51.3 58.2 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 122.815 0.446 . . . . 0.0 110.415 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 55.4 tttp -60.39 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.716 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -59.56 -50.37 74.17 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 110.596 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.13 -29.09 57.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.92 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -59.75 -56.95 15.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.64 -44.79 92.83 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.16 -47.71 77.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.549 0.34 . . . . 0.0 111.595 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -83.18 -61.47 1.84 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.015 0.436 . . . . 0.0 111.095 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -68.97 -45.13 71.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -173.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.21 -5.53 40.22 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.98 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.3 t70 53.68 77.54 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.907 1.283 . . . . 0.0 110.191 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.04 173.69 8.53 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.402 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -83.74 -61.71 1.76 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.673 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.88 151.89 31.87 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.386 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.49 137.37 13.79 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 m -132.33 149.45 52.36 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 t -96.4 132.01 42.37 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -128.09 103.44 7.22 Favored 'General case' 0 N--CA 1.415 -2.186 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 66.01 4.16 2.92 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.552 1.141 . . . . 0.0 112.768 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.28 1.61 11.15 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.491 -0.862 . . . . 0.0 113.126 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.84 146.07 45.16 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -95.86 128.39 42.7 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 121.233 0.539 . . . . 0.0 110.276 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -111.69 124.18 51.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.616 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.14 120.85 42.88 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.03 127.94 37.68 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.553 -174.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.8 177.08 5.42 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 26.0 p80 -103.48 138.71 39.82 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--N 1.278 -2.51 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.263 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -79.11 136.96 37.29 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.292 0.567 . . . . 0.0 109.656 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.6 m -119.71 104.4 10.21 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.56 130.47 9.77 Favored Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.468 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -70.71 122.77 20.45 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -79.69 133.69 36.38 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -72.04 101.44 2.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.988 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.16 -24.74 47.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -83.6 89.3 7.09 Favored 'General case' 0 N--CA 1.412 -2.373 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -69.73 -44.31 70.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.878 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -81.45 104.51 11.94 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.49 128.51 1.32 Allowed Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.073 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -77.56 127.4 32.43 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.42 121.82 29.51 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 121.454 0.645 . . . . 0.0 111.257 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 90.7 m-85 -115.55 126.59 54.43 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 35' ' ' CYS . 20.2 m-70 -60.75 -61.0 2.9 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -174.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 65.2 tttp -62.36 -43.26 99.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -63.74 -42.5 97.86 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.622 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.82 -46.77 78.0 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.0 -58.76 7.17 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.764 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 73.6 m-70 -65.81 -35.66 81.32 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -69.71 -55.84 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 31.2 m -64.06 -43.46 95.44 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 26.4 ttt -59.94 -33.13 71.49 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.112 0.482 . . . . 0.0 111.328 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.86 -63.77 1.16 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.057 0.456 . . . . 0.0 111.056 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -73.04 -38.56 66.47 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.832 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -92.76 -4.36 53.22 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.664 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 65.57 20.32 11.62 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.56 1.172 . . . . 0.0 110.273 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -73.96 162.43 29.06 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.424 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' A' ' 45' ' ' HIS . 26.7 mtpp -79.81 -46.75 16.36 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -155.71 153.92 30.7 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.497 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.58 141.09 13.81 Favored Glycine 0 CA--C 1.487 -1.676 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 p -143.45 142.72 31.3 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 13.2 t -88.69 109.11 19.86 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -110.95 116.88 31.97 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.73 7.23 5.99 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.509 1.124 . . . . 0.0 111.564 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 13.86 43.85 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.177 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.06 148.11 43.38 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.7 t -87.74 102.43 14.64 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.149 0.5 . . . . 0.0 110.752 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.71 111.99 24.32 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 122.034 0.921 . . . . 0.0 111.345 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.0 m -100.72 114.43 28.17 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.294 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -95.71 129.13 43.02 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.44 -175.72 2.85 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.476 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 4.4 t60 -129.23 125.94 38.01 Favored 'General case' 0 C--N 1.285 -2.203 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.295 -1.775 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.263 177.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 C--O 1.242 0.69 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -101.65 142.87 32.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 t -116.99 92.44 3.86 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.79 113.61 3.95 Favored Glycine 0 C--N 1.289 -2.036 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.337 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -96.5 125.85 41.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -87.83 100.52 12.93 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -70.41 126.81 30.69 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -81.87 0.11 41.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 111.021 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -121.53 122.32 39.42 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -91.05 174.81 7.21 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -77.27 -21.29 53.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.414 1.102 . . . . 0.0 110.484 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -35.95 1.4 Allowed Glycine 0 C--N 1.279 -2.596 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -150.2 158.73 44.47 Favored 'General case' 0 N--CA 1.419 -1.988 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -88.16 122.6 31.9 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.073 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 62.7 m-85 -140.1 138.43 35.29 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -57.96 -64.53 0.88 Allowed 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.024 0.828 . . . . 0.0 112.008 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.33 -26.23 60.03 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 3.9 tppp? -62.94 -52.93 61.14 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.26 -22.97 61.14 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.111 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.62 -61.53 2.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -67.35 -36.0 80.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -58.69 -53.86 53.63 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.979 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.9 m -69.62 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -66.03 -43.26 88.12 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.878 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -80.25 -48.88 12.39 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -88.82 -37.68 15.2 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.759 -0.777 . . . . 0.0 112.721 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -98.71 -2.39 38.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t70 68.96 15.15 8.88 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.085 0.945 . . . . 0.0 111.455 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -70.35 163.88 25.69 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.551 -0.718 . . . . 0.0 109.858 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.56 -43.76 11.15 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -157.9 136.77 11.45 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.089 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.78 159.69 13.83 Favored Glycine 0 C--N 1.29 -1.992 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -154.87 174.78 14.63 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 t -105.79 128.68 53.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -136.33 113.18 10.3 Favored 'General case' 0 N--CA 1.412 -2.342 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 63.74 17.91 10.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.381 1.073 . . . . 0.0 111.842 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.86 7.35 53.22 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.226 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -124.54 145.94 49.29 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 117.176 0.488 . . . . 0.0 110.401 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.8 m -87.23 115.93 24.97 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.78 126.88 52.69 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.898 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.9 m -114.52 116.48 28.88 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 75.7 m-85 -96.09 132.23 41.69 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.879 0.847 . . . . 0.0 112.513 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -114.86 -169.53 1.57 Allowed 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -124.97 114.69 19.46 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 tptp . . . . . 0 N--CA 1.44 -0.952 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.16 128.73 34.91 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.464 0.65 . . . . 0.0 110.822 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -120.69 119.17 32.04 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.79 127.61 9.2 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.76 -1.21 . . . . 0.0 114.023 -171.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -80.51 150.37 29.67 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 123.738 0.649 . . . . 0.0 110.084 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 m -140.55 111.41 6.98 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.267 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 p -161.46 98.26 1.12 Allowed 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 74.5 t-105 -105.99 -45.64 4.3 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -156.58 143.75 18.89 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.64 70.24 Favored Glycine 0 N--CA 1.445 -0.755 0 O-C-N 123.862 0.726 . . . . 0.0 112.31 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -124.04 134.98 53.29 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.62 134.38 46.07 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -135.6 129.54 33.05 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -66.85 -38.68 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -63.46 -51.92 63.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.877 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.09 -39.47 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 -50.93 71.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -55.23 -51.05 67.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.32 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -70.1 -25.86 63.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -74.78 -58.63 3.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -56.36 -45.0 80.68 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.16 -41.86 80.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -78.27 -30.58 48.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.86 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -92.89 -53.48 4.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -114.92 18.3 16.5 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 61.98 30.83 18.12 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.89 49.93 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.61 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -77.32 -29.28 53.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.877 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -168.74 167.02 11.44 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.616 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.89 140.38 11.39 Favored Glycine 0 C--N 1.287 -2.188 0 N-CA-C 108.076 -2.01 . . . . 0.0 108.076 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -141.36 -179.23 6.01 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.25 130.53 48.95 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 34.6 t -145.11 129.15 17.53 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.9 m80 67.51 14.17 9.52 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.369 0.668 . . . . 0.0 110.676 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.65 16.99 66.94 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.484 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.92 169.42 16.31 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 40.9 t -85.6 116.03 23.65 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.304 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 36' ' ' SER . 3.1 m-85 -112.11 119.21 37.65 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.087 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.32 126.13 34.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.1 119.07 38.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.89 0.852 . . . . 0.0 111.111 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.68 -175.3 2.68 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.447 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -120.9 135.76 55.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.547 178.508 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 N--CA 1.435 -1.187 0 CA-C-O 121.658 0.742 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -102.53 131.68 49.1 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.669 0.747 . . . . 0.0 111.709 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -116.68 99.8 7.38 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.035 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.94 121.08 5.67 Favored Glycine 0 N--CA 1.429 -1.778 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.086 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -77.97 133.71 37.98 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -79.34 125.95 30.17 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -58.25 137.22 57.27 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 124.238 0.961 . . . . 0.0 111.885 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -99.23 0.24 42.81 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.545 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m 64.32 -171.12 0.18 Allowed 'General case' 0 C--O 1.251 1.149 0 O-C-N 124.678 1.236 . . . . 0.0 109.163 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 m95 59.16 30.56 20.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.048 0.928 . . . . 0.0 111.84 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -107.18 30.15 6.47 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.62 -167.86 39.21 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -86.1 130.87 34.4 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -84.55 122.81 29.55 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.696 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 80.6 m-85 -123.54 147.28 47.41 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 173.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -58.45 -77.52 0.03 OUTLIER 'General case' 0 C--O 1.252 1.234 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 18.5 ptpt -75.54 -19.45 59.32 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.682 -175.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' HIS . 64.8 mttp -73.5 -42.64 61.56 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -75.44 -24.73 57.08 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.43 -1.308 . . . . 0.0 108.279 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 8.7 t30 -54.36 -60.34 3.47 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.804 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 35.2 p80 -67.43 -35.91 80.17 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.749 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -57.19 -58.88 6.27 Favored 'General case' 0 C--O 1.204 -1.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.553 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 t -65.02 -36.05 83.14 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.657 0.265 . . . . 0.0 110.823 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ttt -56.64 -33.52 66.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.692 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.69 -43.21 7.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.296 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -70.61 -43.19 69.83 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.47 15.87 10.42 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.346 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 50.95 74.21 0.25 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.842 1.339 . . . . 0.0 110.449 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.7 164.29 12.89 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.672 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -77.87 -48.58 16.08 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -160.16 158.17 29.69 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.862 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.35 127.26 6.54 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -110.91 139.42 46.25 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.56 128.06 50.87 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -131.42 110.86 11.33 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.73 31.14 20.0 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.512 1.125 . . . . 0.0 112.281 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.02 0.58 58.64 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.366 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -112.6 134.6 54.04 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-N 117.672 0.736 . . . . 0.0 110.835 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.5 t -94.54 110.86 22.63 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.529 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.77 111.91 24.23 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -87.18 130.56 34.5 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.63 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -105.78 127.73 53.27 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-O 121.358 0.599 . . . . 0.0 110.963 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.47 173.81 7.78 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -109.17 152.65 24.84 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.264 1.832 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 172.544 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.599 0.714 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -88.36 114.14 24.68 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.231 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.04 108.44 16.34 Favored 'General case' 0 C--N 1.279 -2.49 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.597 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.74 121.75 5.88 Favored Glycine 0 N--CA 1.425 -2.05 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -85.57 130.02 34.68 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -70.31 157.59 37.45 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.939 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -101.52 111.81 24.16 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -130.44 -1.13 4.44 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.042 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -148.54 17.07 1.03 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -115.02 123.57 49.39 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.628 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -130.94 176.13 8.49 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.28 -169.57 17.64 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.01 131.89 35.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -85.48 119.71 26.14 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 96.6 m-85 -113.89 132.53 55.89 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -63.32 -48.32 78.55 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 122.901 0.48 . . . . 0.0 111.734 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.16 -39.08 79.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 16' ' ' PHE . 65.1 mttm -71.58 -33.38 69.0 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.0 -43.01 99.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.46 -51.48 69.27 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.73 -39.37 93.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -57.33 -57.47 12.51 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.201 0.6 . . . . 0.0 110.305 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.76 -37.91 86.04 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.127 0.489 . . . . 0.0 111.473 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.69 -43.13 98.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.247 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.18 -45.55 22.85 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.608 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.66 -57.78 11.24 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.195 0.998 . . . . 0.0 112.038 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -137.46 16.68 2.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.47 71.81 0.54 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.457 1.123 . . . . 0.0 110.261 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.09 157.95 16.0 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.885 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.89 -36.52 64.78 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -160.96 165.55 29.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.007 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.95 125.73 5.93 Favored Glycine 0 N--CA 1.423 -2.21 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -103.56 143.25 32.98 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.3 t -102.08 103.56 14.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 46.9 t -105.37 110.09 22.31 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.353 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 57.95 27.09 14.23 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.06 0.944 . . . . 0.0 112.629 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.22 39.61 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.168 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.81 149.05 50.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 117.345 0.573 . . . . 0.0 111.476 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.15 123.95 33.32 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.676 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' SER . 34.4 m-85 -122.55 123.59 41.59 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.9 m -91.2 125.6 36.02 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.82 123.6 48.22 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 121.905 0.86 . . . . 0.0 113.255 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 38.4 m-85 -118.7 135.08 54.67 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.186 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -84.23 114.24 21.68 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.188 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 121.76 0.791 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.19 138.57 51.16 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 47.1 t -117.7 95.25 4.86 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.675 0.75 . . . . 0.0 112.25 -173.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.97 106.29 3.31 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.531 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -99.34 161.91 13.35 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -68.89 127.81 34.44 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.94 134.92 33.95 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -80.29 -17.49 51.96 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.412 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -84.16 78.3 9.8 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.419 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -71.83 140.62 49.46 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.69 0.757 . . . . 0.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.31 149.2 26.25 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.344 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.29 -45.95 6.02 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.174 -1.971 . . . . 0.0 108.174 172.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -131.79 138.08 48.4 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.26 107.62 19.25 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.7 120.25 41.79 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -57.14 -39.85 76.0 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 123.499 0.499 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.35 -47.01 80.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.556 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.92 -41.34 91.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.836 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.32 -46.78 85.55 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -57.38 -61.38 2.53 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.516 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -60.27 -52.11 66.69 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -61.17 -46.4 90.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.372 0.42 . . . . 0.0 110.8 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.76 -36.33 73.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.667 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.419 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 51.0 ttp -64.17 -45.08 89.99 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.157 0.503 . . . . 0.0 110.041 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.12 -52.18 44.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.305 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -83.46 -57.14 3.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -97.95 -0.24 45.2 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.284 -170.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.49 67.46 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.972 1.368 . . . . 0.0 111.556 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -92.97 159.88 15.12 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.369 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -73.89 -41.0 62.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -166.23 166.06 17.1 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.195 -1.366 . . . . 0.0 107.767 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.66 133.71 6.83 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -127.17 174.82 8.62 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 117.388 0.594 . . . . 0.0 110.023 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.1 135.2 46.88 Favored 'General case' 0 N--CA 1.423 -1.799 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 51.5 m -144.48 120.65 10.82 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.0 m170 65.97 16.69 10.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.321 1.049 . . . . 0.0 111.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.32 12.46 65.2 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.766 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -120.02 145.74 46.54 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.86 124.32 25.9 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 36.2 m-85 -120.86 115.52 23.4 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.388 0.613 . . . . 0.0 110.543 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 129.63 34.78 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.689 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 89.8 m-85 -109.63 117.35 33.7 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.493 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 91.2 m-85 -110.29 173.2 6.44 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.358 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -89.43 115.49 26.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.173 0.511 . . . . 0.0 110.363 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.297 -1.688 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.614 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -74.31 78.78 1.84 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.254 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 53.0 t -89.75 89.33 7.73 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.87 130.72 10.32 Favored Glycine 0 N--CA 1.413 -2.854 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.048 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -83.79 134.28 34.73 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.68 154.47 41.35 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 p -61.29 97.7 0.07 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 123.36 0.413 . . . . 0.0 110.599 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -78.27 -39.29 40.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -89.17 119.77 29.96 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-N 113.94 -1.482 . . . . 0.0 107.649 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -82.79 -7.36 59.66 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -102.26 79.4 1.85 Allowed 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.22 86.41 0.16 Allowed Glycine 0 C--N 1.297 -1.59 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -53.72 144.6 17.59 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 124.315 1.046 . . . . 0.0 111.528 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.3 97.7 2.06 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.958 -176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -129.97 168.77 16.16 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -110.49 -63.8 1.35 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.109 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.74 -43.77 83.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -66.24 -34.78 78.78 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -67.84 -41.35 83.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 32' ' ' TYR . 9.1 t30 -58.21 -51.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.628 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -71.03 -27.92 64.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.65 -55.94 25.15 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -64.78 -37.39 87.44 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.249 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.7 tpp -59.46 -40.82 88.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.438 0.695 . . . . 0.0 109.85 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -79.18 -45.17 20.44 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.482 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 23.6 tptm -60.17 -60.5 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.693 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 37.6 mt-10 -128.55 5.71 5.65 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 64.37 75.5 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.259 1.028 . . . . 0.0 108.23 -174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.25 171.16 8.39 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.23 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -80.93 -45.23 17.03 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 15.2 p90 -163.0 150.15 13.0 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.062 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.93 146.96 16.67 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -149.59 150.43 32.2 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.85 137.47 32.74 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -143.27 127.64 17.8 Favored 'General case' 0 N--CA 1.408 -2.543 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.1 m80 65.79 10.72 7.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.092 0.957 . . . . 0.0 112.273 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.18 10.0 55.02 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.544 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.84 156.49 41.26 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 120.857 0.361 . . . . 0.0 110.759 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.9 113.02 20.66 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.485 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.99 134.86 47.38 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.6 m -101.85 121.82 42.82 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.049 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.64 127.27 51.1 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.403 0.62 . . . . 0.0 110.839 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.474 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 72.1 m-85 -117.77 170.35 8.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -104.96 103.39 12.95 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.486 -0.886 . . . . 0.0 108.643 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 120.787 0.327 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -120.46 109.94 15.89 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.761 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m -100.96 93.32 5.45 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.381 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.0 102.32 1.32 Allowed Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -77.46 138.59 39.33 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -69.48 141.97 53.85 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.924 0.765 . . . . 0.0 109.295 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -60.88 100.62 0.12 Allowed 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.256 1.022 . . . . 0.0 111.084 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.34 -33.35 43.12 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -96.42 85.56 3.95 Favored 'General case' 0 N--CA 1.407 -2.604 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.439 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -93.18 -23.86 18.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.611 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.85 103.34 7.73 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.277 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.63 -178.57 35.68 Favored Glycine 0 N--CA 1.426 -1.979 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -102.75 126.13 49.75 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 118.592 1.196 . . . . 0.0 108.927 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -79.43 127.2 31.81 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.15 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.92 142.08 36.47 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -60.48 -64.72 0.85 Allowed 'General case' 0 C--N 1.316 -0.856 0 O-C-N 123.862 0.726 . . . . 0.0 111.626 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -59.98 -39.54 86.05 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.071 0.232 . . . . 0.0 111.487 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -51.22 -63.66 1.06 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.293 0.995 . . . . 0.0 111.274 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -73.84 -21.24 60.19 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.517 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -64.28 -61.03 2.5 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -67.02 -32.05 73.01 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.342 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -59.03 -64.51 0.92 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 123.847 0.717 . . . . 0.0 109.968 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m -59.08 -36.37 74.98 Favored 'General case' 0 C--O 1.25 1.107 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 49.7 ttm -58.3 -38.81 77.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.475 0.71 . . . . 0.0 111.369 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.81 -41.63 9.12 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.169 0.509 . . . . 0.0 110.086 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.18 -55.2 33.88 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 125.425 1.49 . . . . 0.0 112.859 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -132.56 16.14 4.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.713 0.292 . . . . 0.0 111.44 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.578 ' HA ' ' O ' ' A' ' 25' ' ' MET . 6.1 m-20 55.29 64.65 1.71 Allowed 'General case' 0 CA--C 1.493 -1.244 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.519 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -87.37 156.62 19.52 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.664 175.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.24 -49.4 35.41 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -163.39 145.41 9.76 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.633 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -107.58 153.49 16.8 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 173.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -148.47 164.24 34.77 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 t -106.0 110.4 22.65 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -114.84 107.5 15.5 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.14 25.4 15.21 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 112.292 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.71 8.1 59.66 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.772 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -120.26 134.72 55.2 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.5 m -80.55 101.45 9.16 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.803 0.335 . . . . 0.0 111.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.14 133.23 42.06 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 74.0 m -119.92 123.93 44.77 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 121.16 0.505 . . . . 0.0 109.926 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -93.24 118.22 30.99 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.717 -173.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 95.3 m-85 -109.7 168.42 9.42 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.403 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -70.43 110.24 5.23 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.854 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.067 174.207 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 C--O 1.248 1.01 0 CA-C-O 121.093 0.473 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.07 107.69 18.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.126 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.23 92.14 3.83 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.67 135.02 12.03 Favored Glycine 0 C--N 1.299 -1.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.389 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -93.38 148.13 22.33 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -58.67 152.0 19.66 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 123.818 0.699 . . . . 0.0 110.209 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.5 m -93.85 162.14 14.03 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.28 0.562 . . . . 0.0 112.08 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -112.56 5.49 17.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 171.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -75.89 11.64 1.35 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -72.18 -34.77 68.69 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -104.84 83.26 1.98 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.12 -160.45 28.16 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.649 -2.58 . . . . 0.0 106.649 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 13.5 tppt? -139.96 156.05 46.84 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 118.677 1.239 . . . . 0.0 109.198 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 51.6 t -76.65 122.6 24.9 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 95.4 m-85 -128.11 102.57 6.78 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 174.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 34' ' ' SER . 44.9 t-80 -52.28 -57.16 10.59 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -62.79 -46.86 86.04 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-O 120.558 0.218 . . . . 0.0 110.965 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -58.59 -54.4 47.47 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -65.01 -37.34 87.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.619 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.3 -51.88 67.92 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 120.667 0.27 . . . . 0.0 110.667 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -80.29 -28.26 38.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -59.92 -50.26 74.46 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.53 -46.92 77.7 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.278 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.72 -38.53 85.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.592 0.234 . . . . 0.0 111.327 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -84.29 -64.62 1.13 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.013 0.435 . . . . 0.0 111.748 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -74.12 -40.99 62.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -98.29 -2.84 38.55 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t70 54.32 71.08 0.54 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.246 1.022 . . . . 0.0 110.196 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.08 170.46 8.84 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.725 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -84.01 -49.19 9.17 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -166.36 153.01 9.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -123.65 131.41 8.05 Favored Glycine 0 C--N 1.293 -1.853 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.541 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 10.6 t -124.67 166.6 15.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -97.36 127.64 43.49 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.0 t -130.87 110.79 11.55 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.12 16.3 10.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.966 0.906 . . . . 0.0 111.256 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.89 16.71 35.01 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -127.31 151.37 48.84 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.658 0.266 . . . . 0.0 111.253 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 72.8 m -88.45 99.38 12.24 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.019 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -95.55 114.45 26.21 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.241 0.543 . . . . 0.0 109.693 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 69.7 m -94.53 124.39 38.53 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.977 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.61 130.14 45.14 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.786 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -112.22 175.64 5.35 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.066 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -95.91 104.28 16.21 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.38 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -92.25 128.73 38.2 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.232 0.539 . . . . 0.0 110.196 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.8 m -125.24 114.92 19.6 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 42' ' ' CYS . . . -90.22 137.96 14.25 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 62.2 pttt -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -76.9 122.46 24.88 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -77.34 81.48 3.82 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-O 121.982 0.896 . . . . 0.0 112.714 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -81.04 -28.75 35.25 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 t -77.12 118.33 19.55 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 170.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -75.97 119.51 20.04 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.412 0.625 . . . . 0.0 112.351 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.6 125.12 49.92 Favored 'General case' 0 CA--C 1.489 -1.395 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 172.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.36 -37.59 90.63 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -128.12 174.93 8.82 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 121.893 0.854 . . . . 0.0 110.44 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -140.91 120.19 13.0 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 113.723 -1.58 . . . . 0.0 108.921 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.73 112.46 19.79 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -55.73 -39.47 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.826 0.704 . . . . 0.0 112.876 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.07 -46.96 75.86 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.004 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.38 -48.45 81.22 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.943 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.97 -43.14 86.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.469 0.481 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.51 -58.75 6.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.308 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -67.5 -32.15 72.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.42 -62.62 1.32 Allowed 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.363 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 m -63.95 -35.93 82.31 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.407 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 50.6 ttm -61.13 -35.87 78.2 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.694 0.283 . . . . 0.0 110.802 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -88.82 -56.5 3.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.133 0.492 . . . . 0.0 110.217 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.85 -45.44 92.58 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.63 13.22 13.32 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.817 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 51.71 67.75 0.91 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 122.324 1.059 . . . . 0.0 110.013 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -104.45 167.59 9.64 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.854 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -79.91 -43.39 22.29 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -169.25 161.35 10.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.949 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 139.11 12.51 Favored Glycine 0 C--N 1.294 -1.769 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -145.04 173.67 11.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 117.715 0.757 . . . . 0.0 109.458 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.2 m -102.1 133.14 47.42 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.186 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 41' ' ' TYR . 42.8 t -147.99 128.73 14.25 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 m80 69.53 2.4 3.74 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.069 0.948 . . . . 0.0 111.637 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.07 5.26 62.54 Favored Glycine 0 C--O 1.239 0.458 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.82 157.98 17.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 C-N-CA 123.5 0.72 . . . . 0.0 110.274 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -94.1 111.11 22.8 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.496 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 56.9 m-85 -109.45 127.36 54.35 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' HE2' ' A' ' 6' ' ' LYS . 61.4 m -105.53 122.46 46.05 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.5 129.37 43.88 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -124.61 -179.43 4.5 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -89.61 136.7 32.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.317 -0.816 0 C-N-CA 123.384 0.674 . . . . 0.0 110.996 -179.681 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 N--CA 1.434 -1.273 0 CA-C-O 121.276 0.56 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.54 134.72 22.82 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.301 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.54 137.64 52.02 Favored 'General case' 0 C--N 1.278 -2.521 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.948 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.05 133.98 11.59 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.484 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -116.92 135.0 54.05 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -89.77 136.46 33.02 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 m -71.05 149.94 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.436 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -64.91 -48.7 73.21 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m 63.0 85.64 0.13 Allowed 'General case' 0 C--O 1.251 1.138 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.867 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -76.76 -46.32 25.66 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.933 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -172.7 91.9 0.11 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.425 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.93 156.94 27.0 Favored Glycine 0 N--CA 1.423 -2.183 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -104.78 137.43 42.59 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.9 t -82.84 117.51 22.77 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.429 0.633 . . . . 0.0 112.229 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.68 145.06 44.31 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -58.84 -47.74 83.76 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -65.36 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.838 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -63.82 -52.83 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.004 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.01 -40.37 95.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.891 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -69.38 -53.15 20.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.091 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 85.0 m-70 -65.4 -29.06 69.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 52.6 t-105 -71.48 -65.14 0.79 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.6 m -65.96 -33.85 76.77 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -171.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttt -83.59 -33.85 25.27 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 119.601 1.092 . . . . 0.0 109.424 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 34.5 mt-10 -88.54 -30.58 19.21 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.428 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' TRP . 19.1 tptm -98.58 -50.94 4.09 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -91.62 -7.11 50.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.405 0.621 . . . . 0.0 109.62 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.3 t70 58.72 33.56 23.16 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.137 1.375 . . . . 0.0 109.683 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.8 163.72 25.19 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.582 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.47 -46.19 84.12 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -171.41 167.87 6.68 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.469 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.23 141.7 13.01 Favored Glycine 0 N--CA 1.436 -1.364 0 N-CA-C 109.746 -1.341 . . . . 0.0 109.746 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.8 m -141.67 168.7 19.13 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 117.368 0.584 . . . . 0.0 110.43 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.78 131.91 54.5 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -132.86 110.76 10.54 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 67.92 19.25 9.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.816 0.846 . . . . 0.0 111.267 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.32 4.68 73.65 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.766 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -110.01 141.14 43.24 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.29 119.31 26.43 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.461 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -119.06 124.81 47.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.8 m -109.12 131.6 54.91 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.79 128.43 49.55 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.17 0.509 . . . . 0.0 111.769 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -115.92 154.93 28.88 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -72.84 107.75 5.42 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 126.616 1.966 . . . . 0.0 114.273 -176.507 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 87.4 tttt . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -72.64 128.22 34.92 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.574 0.546 . . . . 0.0 109.777 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 67.0 m -128.68 116.28 19.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.551 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.0 109.58 3.38 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -80.41 151.11 29.52 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -62.25 152.84 32.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.614 0.721 . . . . 0.0 110.95 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -80.3 72.47 7.15 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.518 -174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -92.23 -0.47 57.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.429 1.109 . . . . 0.0 109.065 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -105.84 36.07 2.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 172.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -44.68 139.39 2.94 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 127.152 2.181 . . . . 0.0 113.998 -172.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.96 129.56 25.97 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.34 -62.11 4.97 Favored Glycine 0 CA--C 1.499 -0.924 0 O-C-N 123.945 0.778 . . . . 0.0 113.451 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -92.13 133.44 35.76 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.56 91.13 7.36 Favored 'General case' 0 C--N 1.276 -2.63 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 99.1 m-85 -77.52 115.22 17.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -53.68 -72.41 0.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.039 0.837 . . . . 0.0 112.541 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 60.4 tttm -68.26 -35.67 78.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.162 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 16' ' ' PHE . 59.5 tptt -64.47 -50.01 69.16 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -73.1 -29.68 63.1 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.609 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -55.11 -55.85 26.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.869 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 52.5 m-70 -70.87 -28.98 64.97 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.444 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -59.31 -60.29 4.09 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.68 -41.34 88.26 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -57.87 -43.56 86.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -57.62 2.83 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -72.57 -41.39 65.77 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -95.77 -4.38 44.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -172.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.06 22.93 5.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.346 1.069 . . . . 0.0 110.102 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -78.79 162.9 25.78 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.246 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.34 -38.8 15.89 Favored 'General case' 0 C--N 1.283 -2.301 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.233 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -161.61 150.19 15.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.608 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.16 132.73 10.84 Favored Glycine 0 C--N 1.296 -1.642 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 t -136.46 144.51 44.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 117.59 0.695 . . . . 0.0 109.981 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.93 128.01 33.26 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.394 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 21.0 t -144.13 121.49 11.63 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.3 m80 67.67 13.59 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.356 1.062 . . . . 0.0 111.588 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.58 -9.43 62.45 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -102.88 158.09 16.51 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 120.622 0.248 . . . . 0.0 110.641 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 34.0 m-85 -95.34 116.85 29.33 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.4 m -94.16 118.12 31.09 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 30.8 m-85 -91.74 127.75 37.31 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.545 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -120.92 179.14 4.46 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 35.3 p-80 -104.61 137.11 42.94 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.941 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.295 -1.784 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.343 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 60.1 pttt . . . . . 0 N--CA 1.436 -1.159 0 CA-C-O 121.951 0.881 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -105.65 92.62 4.26 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.712 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -96.96 111.74 23.81 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.363 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.39 156.31 22.63 Favored Glycine 0 N--CA 1.433 -1.56 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.105 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -61.73 139.0 58.37 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.596 1.158 . . . . 0.0 110.808 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -72.52 101.43 2.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 168.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.456 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 t -86.92 109.72 19.53 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 122.234 1.016 . . . . 0.0 112.389 -168.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -98.15 -32.57 11.53 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.25 -1.341 . . . . 0.0 107.687 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -95.31 104.56 16.45 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.421 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CZ2' ' HB3' ' A' ' 8' ' ' SER . 3.4 m-90 -128.66 99.73 5.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -134.33 105.64 6.71 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.17 -166.68 12.21 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -92.74 151.62 19.95 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.8 t -86.66 114.18 23.15 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.465 0.65 . . . . 0.0 110.937 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.99 113.99 23.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -48.25 -53.6 16.56 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.54 -38.69 77.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.78 -32.87 70.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.8 -42.45 95.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.264 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.26 -48.84 73.42 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.788 0.328 . . . . 0.0 111.33 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -73.0 -33.3 65.69 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.235 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -63.6 -48.33 77.78 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.88 -43.99 97.72 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.186 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.15 -47.74 83.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 0.0 110.352 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.2 -51.69 29.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.79 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.97 -40.96 10.83 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -170.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -103.94 -15.3 15.68 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -169.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.93 82.82 0.16 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.067 0.854 . . . . 0.0 109.23 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.44 6.26 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.865 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -82.72 -48.73 10.53 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -157.6 151.84 24.7 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.0 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.21 149.48 18.74 Favored Glycine 0 CA--C 1.479 -2.206 0 N-CA-C 107.502 -2.239 . . . . 0.0 107.502 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 m -150.92 174.23 13.35 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 117.268 0.534 . . . . 0.0 110.47 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.1 t -111.42 112.39 24.1 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -110.64 105.56 14.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.708 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 68.21 17.21 9.37 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.484 1.113 . . . . 0.0 111.459 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 5.12 58.23 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.58 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -114.13 136.03 53.38 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -74.29 129.74 38.37 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.487 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -138.68 143.66 39.27 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.327 0.584 . . . . 0.0 112.402 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.94 137.48 45.87 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -113.89 133.53 55.38 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.278 0.561 . . . . 0.0 111.563 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -123.51 -171.69 2.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.658 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.53 145.19 29.89 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.989 172.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 35.5 m . . . . . 0 C--N 1.284 -2.248 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.927 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -111.38 104.35 12.8 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.497 0.665 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -110.22 105.65 14.79 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -93.31 96.44 9.97 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 126.54 8.12 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.402 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . 24.4 tptm -65.71 142.96 57.83 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 124.432 1.093 . . . . 0.0 109.393 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -72.98 111.88 8.5 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 m -74.68 83.47 2.09 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-O 121.645 0.736 . . . . 0.0 112.846 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 8.5 23.0 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.001 171.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -88.54 103.92 16.34 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -77.36 138.8 39.53 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.393 0.616 . . . . 0.0 110.415 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -141.59 150.99 42.76 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.79 -74.06 0.51 Allowed Glycine 0 C--N 1.315 -0.609 0 O-C-N 123.524 0.515 . . . . 0.0 113.405 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -113.38 138.63 49.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.29 129.13 36.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 120.916 0.389 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -137.02 129.1 29.43 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -50.74 -54.09 26.19 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.505 0.722 . . . . 0.0 112.394 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 64.5 tttm -61.02 -46.86 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.948 0.404 . . . . 0.0 111.033 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -71.12 -30.32 66.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.679 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.95 -44.51 84.8 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.5 -52.52 65.3 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.542 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 27.9 m-70 -57.14 -51.86 67.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.812 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.73 -55.53 33.93 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.514 0.509 . . . . 0.0 111.054 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -56.16 -42.2 76.64 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 54.4 ttm -61.27 -48.43 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.297 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -71.52 -39.42 70.76 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.054 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 28.6 tptp -66.52 -56.34 11.28 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 124.775 1.23 . . . . 0.0 113.3 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 24.4 mt-10 -139.4 25.66 2.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 54.83 59.32 4.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.697 1.237 . . . . 0.0 109.659 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.84 147.89 24.16 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HE2' ' N ' ' A' ' 31' ' ' LYS . 9.9 mmpt? -70.41 -41.03 73.51 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.943 0.878 . . . . 0.0 109.118 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB2' ' A' ' 31' ' ' LYS . 25.5 p90 -160.41 167.92 26.29 Favored 'General case' 0 N--CA 1.412 -2.338 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.462 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 140.64 11.92 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -130.87 147.13 52.49 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -96.01 118.91 33.55 Favored 'General case' 0 N--CA 1.416 -2.136 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 23.3 t -136.66 127.15 26.8 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 68.07 15.21 9.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.422 1.089 . . . . 0.0 110.337 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.08 17.36 74.64 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.589 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.89 150.26 40.17 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-O 121.161 0.505 . . . . 0.0 110.404 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -85.09 109.99 18.64 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 39.4 m-85 -103.08 121.15 42.01 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.216 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -89.79 131.72 35.59 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -111.54 126.77 55.34 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.567 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 6' ' ' LYS . 39.6 m-85 -107.7 179.5 4.21 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.464 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -126.33 109.59 12.42 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 C--N 1.298 -1.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.855 -178.572 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -142.06 120.05 12.05 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.299 0.571 . . . . 0.0 111.044 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -85.83 143.35 28.32 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.7 m -120.64 112.82 19.37 Favored 'General case' 0 C--N 1.28 -2.428 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.841 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.31 117.31 4.5 Favored Glycine 0 N--CA 1.423 -2.228 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -74.94 120.0 19.87 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 72.2 m80 -61.79 142.77 57.09 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.764 -172.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -71.22 147.83 47.86 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.942 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.04 -10.16 57.22 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m 71.14 175.58 0.29 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.84 1.256 . . . . 0.0 109.614 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.3 m95 66.54 20.81 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.344 0.658 . . . . 0.0 112.598 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.34 132.84 47.77 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -46.94 58.79 Favored Glycine 0 CA--C 1.503 -0.667 0 O-C-N 124.024 0.827 . . . . 0.0 112.267 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -150.61 135.71 17.69 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 172.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.11 88.98 6.43 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -77.58 150.32 34.73 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.855 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.22 -74.18 0.5 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -71.26 -41.64 69.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -62.91 -44.53 95.84 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.249 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.6 -33.66 66.87 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.21 -53.13 61.77 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.197 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -68.71 -31.81 71.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.916 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -60.46 -60.55 3.63 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.1 m -58.85 -42.02 88.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 53.1 ttp -61.0 -28.55 69.11 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.873 0.469 . . . . 0.0 112.241 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -103.62 -45.15 4.9 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.757 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -68.09 -45.42 73.8 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -113.7 0.84 14.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.983 0.421 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' MET . 18.4 m-20 61.98 48.59 5.1 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.078 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.63 164.83 24.31 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.382 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -85.31 -43.66 13.52 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.52 149.03 20.11 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -112.56 138.51 15.03 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -133.28 152.42 51.93 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 117.38 0.59 . . . . 0.0 110.559 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.3 t -96.51 113.57 25.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 18.8 m -118.59 107.88 14.27 Favored 'General case' 0 N--CA 1.409 -2.498 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.723 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.95 18.19 11.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.125 0.97 . . . . 0.0 112.09 173.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 5.78 54.33 Favored Glycine 0 C--O 1.243 0.688 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.295 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.47 136.21 54.84 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 123.199 0.6 . . . . 0.0 109.866 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.48 120.53 27.91 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.277 0.561 . . . . 0.0 110.393 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 7' ' ' HIS . 41.9 m-85 -113.01 124.23 52.15 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.117 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 60.9 m -106.42 128.38 54.01 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.036 0.446 . . . . 0.0 110.57 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -100.46 130.53 46.55 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.791 -172.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -122.03 174.55 6.85 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.28 128.44 53.98 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.798 173.897 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -130.22 102.26 6.14 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.91 138.32 31.64 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.042 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.2 m -126.93 118.98 25.64 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.17 -171.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.0 117.24 4.37 Favored Glycine 0 N--CA 1.433 -1.528 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 44' ' ' TYR . 67.7 mttm -108.36 170.4 8.04 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 120.82 0.343 . . . . 0.0 110.379 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -72.48 132.42 43.83 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -75.92 157.6 33.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.705 0.288 . . . . 0.0 110.388 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -119.45 -13.45 9.23 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.593 0.711 . . . . 0.0 110.07 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -136.55 121.36 18.63 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -119.07 144.76 46.4 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.63 159.63 19.8 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -24.41 64.97 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 121.313 0.396 . . . . 0.0 113.633 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 87.1 tttt -144.43 156.57 44.26 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 t -81.48 81.46 7.59 Favored 'General case' 0 N--CA 1.413 -2.282 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.625 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 96.7 m-85 -83.09 101.77 11.38 Favored 'General case' 0 N--CA 1.415 -2.199 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -54.52 -50.73 67.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -171.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -71.78 -38.52 70.29 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -71.29 -49.62 40.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.905 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.23 -26.72 64.94 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.65 -59.35 4.83 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.676 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.71 -28.91 62.95 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.179 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -58.82 -57.28 13.73 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.53 -29.52 66.02 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 27.6 ttt -62.35 -37.71 86.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -85.9 -42.46 14.07 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.767 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -56.69 -59.47 4.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 124.339 1.056 . . . . 0.0 111.303 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -120.38 13.07 11.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' MET . 26.5 t70 59.69 35.14 22.26 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.62 1.2 . . . . 0.0 109.893 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 142.01 58.58 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -68.97 -42.29 76.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -165.35 133.94 3.26 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.126 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.56 135.05 12.06 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -138.37 156.26 47.77 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 122.334 -0.509 . . . . 0.0 110.649 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.47 119.71 24.55 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.651 0.739 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 45.0 m -133.65 117.71 17.32 Favored 'General case' 0 N--CA 1.409 -2.496 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 m170 72.98 5.42 5.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 125.073 1.349 . . . . 0.0 110.754 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.91 60.68 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -101.5 156.23 17.59 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.04 116.76 28.32 Favored 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 39.9 m-85 -111.81 134.15 53.56 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.202 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.12 119.5 31.3 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.787 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -98.79 126.66 44.49 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.475 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 85.0 m-85 -114.94 -170.96 1.85 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -120.19 134.03 55.35 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.261 1.688 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.773 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.96 108.72 19.72 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.298 0.57 . . . . 0.0 110.837 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -123.44 145.05 49.11 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.418 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 19.7 t -139.32 121.83 16.2 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 124.521 1.128 . . . . 0.0 109.258 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.19 112.13 4.23 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.689 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -106.78 152.16 24.22 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.64 126.25 29.09 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -70.56 116.2 10.62 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.352 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -78.53 -14.1 59.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.003 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.8 t -78.62 140.42 38.44 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -80.65 79.06 7.35 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.969 0.89 . . . . 0.0 110.909 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.46 78.26 1.25 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.984 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.79 45.61 Favored Glycine 0 N--CA 1.427 -1.943 0 CA-C-N 114.152 -1.385 . . . . 0.0 112.234 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.95 115.77 21.94 Favored 'General case' 0 N--CA 1.421 -1.899 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -83.55 98.11 9.4 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.601 -168.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.8 109.41 4.58 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -48.59 -50.23 33.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.277 0.631 . . . . 0.0 111.907 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -58.08 -44.25 87.47 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.519 . . . . 0.0 111.137 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -68.51 -53.75 21.23 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.537 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 58.8 m -62.64 -37.31 85.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.218 -174.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' HA ' ' H ' ' A' ' 33' ' ' GLY . 42.5 t30 -57.65 -59.21 5.55 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.925 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -71.24 -27.5 63.51 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.193 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.35 -61.62 2.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.351 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.25 -31.57 71.14 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.227 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 50.3 ttm -60.95 -38.24 85.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.887 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.53 -35.24 14.41 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.22 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -72.65 -60.54 2.18 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.89 15.19 16.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' ' 25' ' ' MET . 7.1 m-20 52.65 58.88 4.91 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.694 -1.139 . . . . 0.0 113.189 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.09 164.43 15.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.038 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -73.06 -38.64 66.38 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -166.81 163.7 16.4 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.134 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' H ' ' HA ' ' A' ' 21' ' ' ASN . . . -123.49 138.93 11.82 Favored Glycine 0 N--CA 1.428 -1.892 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -142.6 152.84 42.94 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 117.64 0.72 . . . . 0.0 111.082 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -83.09 120.65 26.03 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.956 0.884 . . . . 0.0 112.11 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -122.08 113.91 20.18 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-N 114.478 -1.237 . . . . 0.0 107.674 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 63.56 17.86 10.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.872 0.869 . . . . 0.0 113.208 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 15.36 39.95 Favored Glycine 0 C--O 1.219 -0.833 0 C-N-CA 119.695 -1.241 . . . . 0.0 112.792 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.13 153.69 51.66 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 20' ' ' CYS . 74.5 m -104.02 117.67 34.85 Favored 'General case' 0 C--N 1.274 -2.711 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.609 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -93.23 151.88 19.54 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -100.24 124.45 45.71 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.688 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 50.7 m-85 -103.49 119.54 39.09 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-O 121.49 0.662 . . . . 0.0 110.694 -178.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -124.99 -157.44 0.78 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -112.96 138.68 49.46 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.301 -1.507 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -104.67 140.61 37.79 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.157 0.503 . . . . 0.0 109.788 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -94.19 126.78 39.63 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.95 107.18 18.6 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.823 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.54 134.24 12.43 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.157 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.38 116.95 16.65 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.489 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 53.7 m80 -75.99 149.96 37.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.234 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -81.18 83.47 6.8 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.474 0.654 . . . . 0.0 109.806 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.0 -60.05 1.61 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -113.87 15.21 18.63 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.177 0.513 . . . . 0.0 111.347 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -118.05 94.82 4.65 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.098 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -114.2 155.27 26.41 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.062 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.73 -162.88 28.56 Favored Glycine 0 N--CA 1.424 -2.15 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 16' ' ' PHE . 86.8 tttt -86.23 142.38 28.63 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 21.1 t -81.86 95.99 7.49 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.788 0.804 . . . . 0.0 110.17 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 91.6 m-85 -95.6 107.61 19.81 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 175.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -51.51 -57.49 8.9 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.303 0.641 . . . . 0.0 112.612 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.94 -40.1 63.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.918 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.69 -42.33 82.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.524 -0.47 . . . . 0.0 112.034 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 96.4 m -68.87 -37.24 78.93 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -55.89 -54.43 44.72 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.463 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -71.56 -32.02 67.63 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -58.03 -52.93 63.5 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.41 -44.25 71.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.017 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 28.2 ttt -61.02 -45.36 95.11 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.858 0.463 . . . . 0.0 111.511 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.0 -56.91 4.03 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.21 -37.73 32.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -103.4 -2.49 26.89 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.541 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' MET . 28.2 t70 52.92 55.67 8.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 123.129 1.442 . . . . 0.0 110.71 -174.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.9 18.93 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.349 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 45' ' ' HIS . 65.2 mttm -74.29 -56.19 5.17 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -151.19 138.36 19.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.97 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -106.2 116.65 5.18 Favored Glycine 0 N--CA 1.428 -1.897 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 m -113.1 172.02 7.19 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 t -107.29 124.18 49.41 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.5 m -112.73 98.03 6.95 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.421 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 53.9 35.68 22.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.127 0.971 . . . . 0.0 112.966 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . . . 102.66 -2.32 49.19 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.239 -0.982 . . . . 0.0 113.851 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -118.77 141.49 48.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 117.414 0.607 . . . . 0.0 110.621 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 84.1 m -80.86 112.03 17.87 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.996 0.427 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.489 ' CE2' ' HA ' ' A' ' 7' ' ' HIS . 9.5 m-85 -107.08 113.11 26.37 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.614 0.721 . . . . 0.0 111.067 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 55.6 m -99.12 115.94 30.19 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.785 -177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -93.75 126.1 38.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.082 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.06 175.64 5.41 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 4.4 p80 -91.63 133.28 35.7 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.359 -0.936 . . . . 0.0 108.775 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--N 1.293 -1.848 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.025 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -95.98 152.44 18.51 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -68.86 126.88 31.15 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 121.757 0.789 . . . . 0.0 109.281 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.35 105.57 16.2 Favored 'General case' 0 C--N 1.26 -3.288 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.13 127.32 8.5 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.659 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.67 128.55 56.42 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.27 118.81 15.61 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 40' ' ' CYS . 46.6 t -110.23 165.8 11.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.602 0.715 . . . . 0.0 111.683 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.91 -13.13 51.79 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 73.2 174.74 0.28 Allowed 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.844 1.258 . . . . 0.0 112.156 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -95.26 121.18 36.65 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.75 113.19 5.31 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.327 0.584 . . . . 0.0 110.201 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.58 -152.62 23.99 Favored Glycine 0 N--CA 1.422 -2.258 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -93.56 134.31 35.96 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.2 t -89.29 129.32 35.86 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.279 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.94 141.46 48.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.71 -54.08 50.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -64.58 -41.68 96.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.176 0.512 . . . . 0.0 110.839 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.87 -34.81 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.1 -41.01 95.34 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.85 -53.8 52.39 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.137 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.99 -38.26 90.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.43 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -59.51 -60.03 4.51 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 123.427 0.454 . . . . 0.0 110.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.69 -40.39 79.35 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.494 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 27.2 ttt -67.65 -43.74 79.55 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.898 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.46 -36.27 39.05 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.343 0.592 . . . . 0.0 111.021 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.91 -52.15 10.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.52 12.37 8.67 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.636 -0.826 . . . . 0.0 111.996 -172.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' MET . 33.0 t70 51.78 73.46 0.32 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 122.597 1.189 . . . . 0.0 111.37 -171.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -103.26 168.42 9.19 Favored 'General case' 0 C--N 1.274 -2.677 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 45' ' ' HIS . 27.8 mtpp -82.27 -35.03 28.47 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 121.554 0.693 . . . . 0.0 109.142 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -166.29 177.61 6.74 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.487 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.71 23.1 Favored Glycine 0 N--CA 1.417 -2.568 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -142.15 142.75 32.76 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 117.579 0.689 . . . . 0.0 109.696 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.53 118.18 26.83 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 37.9 t -116.86 109.02 16.55 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 65.97 13.87 9.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.866 0.866 . . . . 0.0 111.639 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 6.06 40.79 Favored Glycine 0 N--CA 1.434 -1.444 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.034 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -124.29 152.8 42.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.476 0.638 . . . . 0.0 110.374 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.1 m -79.9 127.26 32.03 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 20.6 m-85 -124.43 127.01 46.88 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 173.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -96.5 137.01 36.21 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.68 129.69 56.57 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.657 0.741 . . . . 0.0 111.785 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -116.98 -175.46 2.78 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 31' ' ' LYS . 42.7 p-80 -100.55 134.19 43.88 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 m . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 123.516 0.726 . . . . 0.0 109.064 174.04 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.039 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 98.0 mttt -77.92 99.63 6.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -75.28 117.01 16.63 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -119.91 111.77 18.36 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.007 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.05 102.57 2.51 Favored Glycine 0 CA--C 1.487 -1.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.702 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.56 132.04 35.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 120.975 0.417 . . . . 0.0 110.379 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -78.35 103.54 8.36 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 170.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -62.06 168.18 3.44 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -53.19 -17.84 1.93 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t 73.45 94.21 0.08 Allowed 'General case' 0 C--O 1.241 0.658 0 CA-C-O 122.483 1.135 . . . . 0.0 112.002 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -113.6 101.29 9.19 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.71 74.25 4.3 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.149 -1.02 . . . . 0.0 113.718 -170.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.93 -77.53 1.17 Allowed Glycine 0 N--CA 1.423 -2.193 0 N-CA-C 105.306 -3.117 . . . . 0.0 105.306 168.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -147.16 133.92 20.04 Favored 'General case' 0 N--CA 1.411 -2.418 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.68 105.25 14.44 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 120.987 0.423 . . . . 0.0 109.977 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 79.6 m-85 -104.33 113.15 26.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.28 -39.49 94.74 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 122.949 0.156 . . . . 0.0 111.172 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -66.49 -51.3 58.2 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 122.815 0.446 . . . . 0.0 110.415 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 55.4 tttp -60.39 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.716 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -59.56 -50.37 74.17 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 110.596 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.13 -29.09 57.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.92 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -59.75 -56.95 15.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.64 -44.79 92.83 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.16 -47.71 77.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.549 0.34 . . . . 0.0 111.595 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -83.18 -61.47 1.84 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.015 0.436 . . . . 0.0 111.095 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -68.97 -45.13 71.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -173.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.21 -5.53 40.22 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.98 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.3 t70 53.68 77.54 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.907 1.283 . . . . 0.0 110.191 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.04 173.69 8.53 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.402 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -83.74 -61.71 1.76 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.673 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.88 151.89 31.87 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.386 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.49 137.37 13.79 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 m -132.33 149.45 52.36 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 t -96.4 132.01 42.37 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -128.09 103.44 7.22 Favored 'General case' 0 N--CA 1.415 -2.186 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 66.01 4.16 2.92 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.552 1.141 . . . . 0.0 112.768 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.28 1.61 11.15 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.491 -0.862 . . . . 0.0 113.126 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.84 146.07 45.16 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -95.86 128.39 42.7 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 121.233 0.539 . . . . 0.0 110.276 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -111.69 124.18 51.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.616 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.14 120.85 42.88 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.03 127.94 37.68 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.553 -174.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.8 177.08 5.42 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 26.0 p80 -103.48 138.71 39.82 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--N 1.278 -2.51 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.263 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.468 ' HA ' ' NE2' ' A' ' 45' ' ' HIS . . . . . . . . 0 C--O 1.24 0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -128.22 106.44 9.04 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.513 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -79.11 136.96 37.29 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.292 0.567 . . . . 0.0 109.656 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.6 m -119.71 104.4 10.21 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.56 130.47 9.77 Favored Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.468 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -70.71 122.77 20.45 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -79.69 133.69 36.38 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -72.04 101.44 2.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.988 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.16 -24.74 47.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -83.6 89.3 7.09 Favored 'General case' 0 N--CA 1.412 -2.373 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -69.73 -44.31 70.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.878 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -81.45 104.51 11.94 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.49 128.51 1.32 Allowed Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.073 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -77.56 127.4 32.43 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.42 121.82 29.51 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 121.454 0.645 . . . . 0.0 111.257 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 90.7 m-85 -115.55 126.59 54.43 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 35' ' ' CYS . 20.2 m-70 -60.75 -61.0 2.9 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -174.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 65.2 tttp -62.36 -43.26 99.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -63.74 -42.5 97.86 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.622 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.82 -46.77 78.0 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.0 -58.76 7.17 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.764 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 73.6 m-70 -65.81 -35.66 81.32 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -69.71 -55.84 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 31.2 m -64.06 -43.46 95.44 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 26.4 ttt -59.94 -33.13 71.49 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.112 0.482 . . . . 0.0 111.328 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.86 -63.77 1.16 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.057 0.456 . . . . 0.0 111.056 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -73.04 -38.56 66.47 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.832 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -92.76 -4.36 53.22 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.664 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 65.57 20.32 11.62 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.56 1.172 . . . . 0.0 110.273 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -73.96 162.43 29.06 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.424 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' A' ' 45' ' ' HIS . 26.7 mtpp -79.81 -46.75 16.36 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -155.71 153.92 30.7 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.497 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.58 141.09 13.81 Favored Glycine 0 CA--C 1.487 -1.676 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 p -143.45 142.72 31.3 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 13.2 t -88.69 109.11 19.86 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -110.95 116.88 31.97 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.73 7.23 5.99 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.509 1.124 . . . . 0.0 111.564 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 13.86 43.85 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.177 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.06 148.11 43.38 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.7 t -87.74 102.43 14.64 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.149 0.5 . . . . 0.0 110.752 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.71 111.99 24.32 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 122.034 0.921 . . . . 0.0 111.345 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.0 m -100.72 114.43 28.17 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.294 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -95.71 129.13 43.02 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.44 -175.72 2.85 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.476 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 4.4 t60 -129.23 125.94 38.01 Favored 'General case' 0 C--N 1.285 -2.203 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.295 -1.775 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.263 177.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -79.34 143.84 34.76 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -101.65 142.87 32.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 t -116.99 92.44 3.86 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.79 113.61 3.95 Favored Glycine 0 C--N 1.289 -2.036 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.337 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -96.5 125.85 41.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -87.83 100.52 12.93 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -70.41 126.81 30.69 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -81.87 0.11 41.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 111.021 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -121.53 122.32 39.42 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -91.05 174.81 7.21 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -77.27 -21.29 53.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.414 1.102 . . . . 0.0 110.484 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -35.95 1.4 Allowed Glycine 0 C--N 1.279 -2.596 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -150.2 158.73 44.47 Favored 'General case' 0 N--CA 1.419 -1.988 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -88.16 122.6 31.9 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.073 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 62.7 m-85 -140.1 138.43 35.29 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -57.96 -64.53 0.88 Allowed 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.024 0.828 . . . . 0.0 112.008 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.33 -26.23 60.03 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 3.9 tppp? -62.94 -52.93 61.14 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.26 -22.97 61.14 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.111 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.62 -61.53 2.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -67.35 -36.0 80.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -58.69 -53.86 53.63 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.979 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.9 m -69.62 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -66.03 -43.26 88.12 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.878 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -80.25 -48.88 12.39 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -88.82 -37.68 15.2 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.759 -0.777 . . . . 0.0 112.721 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -98.71 -2.39 38.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t70 68.96 15.15 8.88 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.085 0.945 . . . . 0.0 111.455 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -70.35 163.88 25.69 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.551 -0.718 . . . . 0.0 109.858 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.56 -43.76 11.15 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -157.9 136.77 11.45 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.089 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.78 159.69 13.83 Favored Glycine 0 C--N 1.29 -1.992 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -154.87 174.78 14.63 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 t -105.79 128.68 53.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -136.33 113.18 10.3 Favored 'General case' 0 N--CA 1.412 -2.342 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 63.74 17.91 10.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.381 1.073 . . . . 0.0 111.842 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.86 7.35 53.22 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.226 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -124.54 145.94 49.29 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 117.176 0.488 . . . . 0.0 110.401 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.8 m -87.23 115.93 24.97 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.78 126.88 52.69 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.898 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.9 m -114.52 116.48 28.88 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 75.7 m-85 -96.09 132.23 41.69 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.879 0.847 . . . . 0.0 112.513 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -114.86 -169.53 1.57 Allowed 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -124.97 114.69 19.46 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -73.19 105.94 4.83 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.16 128.73 34.91 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.464 0.65 . . . . 0.0 110.822 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -120.69 119.17 32.04 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.79 127.61 9.2 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.76 -1.21 . . . . 0.0 114.023 -171.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -80.51 150.37 29.67 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 123.738 0.649 . . . . 0.0 110.084 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 m -140.55 111.41 6.98 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.267 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 p -161.46 98.26 1.12 Allowed 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 74.5 t-105 -105.99 -45.64 4.3 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -156.58 143.75 18.89 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.64 70.24 Favored Glycine 0 N--CA 1.445 -0.755 0 O-C-N 123.862 0.726 . . . . 0.0 112.31 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -124.04 134.98 53.29 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.62 134.38 46.07 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -135.6 129.54 33.05 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -66.85 -38.68 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -63.46 -51.92 63.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.877 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.09 -39.47 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 -50.93 71.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -55.23 -51.05 67.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.32 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -70.1 -25.86 63.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -74.78 -58.63 3.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -56.36 -45.0 80.68 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.16 -41.86 80.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -78.27 -30.58 48.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.86 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -92.89 -53.48 4.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -114.92 18.3 16.5 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 61.98 30.83 18.12 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.89 49.93 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.61 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -77.32 -29.28 53.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.877 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -168.74 167.02 11.44 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.616 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.89 140.38 11.39 Favored Glycine 0 C--N 1.287 -2.188 0 N-CA-C 108.076 -2.01 . . . . 0.0 108.076 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -141.36 -179.23 6.01 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.25 130.53 48.95 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 34.6 t -145.11 129.15 17.53 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.9 m80 67.51 14.17 9.52 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.369 0.668 . . . . 0.0 110.676 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.65 16.99 66.94 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.484 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.92 169.42 16.31 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 40.9 t -85.6 116.03 23.65 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.304 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 36' ' ' SER . 3.1 m-85 -112.11 119.21 37.65 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.087 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.32 126.13 34.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.1 119.07 38.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.89 0.852 . . . . 0.0 111.111 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.68 -175.3 2.68 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.447 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -120.9 135.76 55.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.547 178.508 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -72.0 96.68 1.76 Allowed 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.658 0.742 . . . . 0.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -102.53 131.68 49.1 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.669 0.747 . . . . 0.0 111.709 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -116.68 99.8 7.38 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.035 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.94 121.08 5.67 Favored Glycine 0 N--CA 1.429 -1.778 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.086 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -77.97 133.71 37.98 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -79.34 125.95 30.17 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -58.25 137.22 57.27 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 124.238 0.961 . . . . 0.0 111.885 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -99.23 0.24 42.81 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.545 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m 64.32 -171.12 0.18 Allowed 'General case' 0 C--O 1.251 1.149 0 O-C-N 124.678 1.236 . . . . 0.0 109.163 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 m95 59.16 30.56 20.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.048 0.928 . . . . 0.0 111.84 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -107.18 30.15 6.47 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.62 -167.86 39.21 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -86.1 130.87 34.4 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -84.55 122.81 29.55 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.696 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 80.6 m-85 -123.54 147.28 47.41 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 173.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -58.45 -77.52 0.03 OUTLIER 'General case' 0 C--O 1.252 1.234 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 18.5 ptpt -75.54 -19.45 59.32 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.682 -175.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' HIS . 64.8 mttp -73.5 -42.64 61.56 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -75.44 -24.73 57.08 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.43 -1.308 . . . . 0.0 108.279 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 8.7 t30 -54.36 -60.34 3.47 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.804 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 35.2 p80 -67.43 -35.91 80.17 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.749 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -57.19 -58.88 6.27 Favored 'General case' 0 C--O 1.204 -1.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.553 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 t -65.02 -36.05 83.14 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.657 0.265 . . . . 0.0 110.823 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ttt -56.64 -33.52 66.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.692 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.69 -43.21 7.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.296 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -70.61 -43.19 69.83 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.47 15.87 10.42 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.346 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 50.95 74.21 0.25 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.842 1.339 . . . . 0.0 110.449 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.7 164.29 12.89 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.672 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -77.87 -48.58 16.08 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -160.16 158.17 29.69 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.862 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.35 127.26 6.54 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -110.91 139.42 46.25 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.56 128.06 50.87 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -131.42 110.86 11.33 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.73 31.14 20.0 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.512 1.125 . . . . 0.0 112.281 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.02 0.58 58.64 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.366 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -112.6 134.6 54.04 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-N 117.672 0.736 . . . . 0.0 110.835 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.5 t -94.54 110.86 22.63 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.529 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.77 111.91 24.23 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -87.18 130.56 34.5 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.63 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -105.78 127.73 53.27 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-O 121.358 0.599 . . . . 0.0 110.963 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.47 173.81 7.78 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -109.17 152.65 24.84 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.264 1.832 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 172.544 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.28 86.24 7.08 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.599 0.714 . . . . 0.0 110.779 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -88.36 114.14 24.68 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.231 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.04 108.44 16.34 Favored 'General case' 0 C--N 1.279 -2.49 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.597 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.74 121.75 5.88 Favored Glycine 0 N--CA 1.425 -2.05 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -85.57 130.02 34.68 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -70.31 157.59 37.45 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.939 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -101.52 111.81 24.16 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -130.44 -1.13 4.44 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.042 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -148.54 17.07 1.03 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -115.02 123.57 49.39 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.628 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -130.94 176.13 8.49 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.28 -169.57 17.64 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.01 131.89 35.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -85.48 119.71 26.14 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 96.6 m-85 -113.89 132.53 55.89 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -63.32 -48.32 78.55 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 122.901 0.48 . . . . 0.0 111.734 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.16 -39.08 79.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 16' ' ' PHE . 65.1 mttm -71.58 -33.38 69.0 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.0 -43.01 99.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.46 -51.48 69.27 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.73 -39.37 93.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -57.33 -57.47 12.51 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.201 0.6 . . . . 0.0 110.305 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.76 -37.91 86.04 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.127 0.489 . . . . 0.0 111.473 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.69 -43.13 98.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.247 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.18 -45.55 22.85 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.608 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.66 -57.78 11.24 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.195 0.998 . . . . 0.0 112.038 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -137.46 16.68 2.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.47 71.81 0.54 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.457 1.123 . . . . 0.0 110.261 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.09 157.95 16.0 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.885 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.89 -36.52 64.78 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -160.96 165.55 29.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.007 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.95 125.73 5.93 Favored Glycine 0 N--CA 1.423 -2.21 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -103.56 143.25 32.98 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.3 t -102.08 103.56 14.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 46.9 t -105.37 110.09 22.31 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.353 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 57.95 27.09 14.23 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.06 0.944 . . . . 0.0 112.629 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.22 39.61 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.168 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.81 149.05 50.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 117.345 0.573 . . . . 0.0 111.476 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.15 123.95 33.32 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.676 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' SER . 34.4 m-85 -122.55 123.59 41.59 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.9 m -91.2 125.6 36.02 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.82 123.6 48.22 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 121.905 0.86 . . . . 0.0 113.255 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 38.4 m-85 -118.7 135.08 54.67 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.186 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -84.23 114.24 21.68 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.188 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.55 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -86.0 94.95 9.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.76 0.791 . . . . 0.0 112.573 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.19 138.57 51.16 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 47.1 t -117.7 95.25 4.86 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.675 0.75 . . . . 0.0 112.25 -173.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.97 106.29 3.31 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.531 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -99.34 161.91 13.35 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -68.89 127.81 34.44 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.94 134.92 33.95 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -80.29 -17.49 51.96 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.412 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -84.16 78.3 9.8 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.419 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -71.83 140.62 49.46 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.69 0.757 . . . . 0.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.31 149.2 26.25 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.344 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.29 -45.95 6.02 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.174 -1.971 . . . . 0.0 108.174 172.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -131.79 138.08 48.4 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.26 107.62 19.25 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.7 120.25 41.79 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -57.14 -39.85 76.0 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 123.499 0.499 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.35 -47.01 80.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.556 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.92 -41.34 91.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.836 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.32 -46.78 85.55 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -57.38 -61.38 2.53 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.516 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -60.27 -52.11 66.69 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -61.17 -46.4 90.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.372 0.42 . . . . 0.0 110.8 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.76 -36.33 73.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.667 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.419 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 51.0 ttp -64.17 -45.08 89.99 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.157 0.503 . . . . 0.0 110.041 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.12 -52.18 44.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.305 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -83.46 -57.14 3.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -97.95 -0.24 45.2 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.284 -170.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.49 67.46 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.972 1.368 . . . . 0.0 111.556 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -92.97 159.88 15.12 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.369 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -73.89 -41.0 62.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -166.23 166.06 17.1 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.195 -1.366 . . . . 0.0 107.767 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.66 133.71 6.83 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -127.17 174.82 8.62 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 117.388 0.594 . . . . 0.0 110.023 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.1 135.2 46.88 Favored 'General case' 0 N--CA 1.423 -1.799 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 51.5 m -144.48 120.65 10.82 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.0 m170 65.97 16.69 10.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.321 1.049 . . . . 0.0 111.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.32 12.46 65.2 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.766 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -120.02 145.74 46.54 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.86 124.32 25.9 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 36.2 m-85 -120.86 115.52 23.4 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.388 0.613 . . . . 0.0 110.543 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 129.63 34.78 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.689 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 89.8 m-85 -109.63 117.35 33.7 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.493 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 91.2 m-85 -110.29 173.2 6.44 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.358 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -89.43 115.49 26.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.173 0.511 . . . . 0.0 110.363 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.297 -1.688 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.614 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.246 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -76.96 99.62 5.32 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -74.31 78.78 1.84 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.254 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 53.0 t -89.75 89.33 7.73 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.87 130.72 10.32 Favored Glycine 0 N--CA 1.413 -2.854 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.048 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -83.79 134.28 34.73 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.68 154.47 41.35 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 p -61.29 97.7 0.07 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 123.36 0.413 . . . . 0.0 110.599 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -78.27 -39.29 40.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -89.17 119.77 29.96 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-N 113.94 -1.482 . . . . 0.0 107.649 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -82.79 -7.36 59.66 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -102.26 79.4 1.85 Allowed 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.22 86.41 0.16 Allowed Glycine 0 C--N 1.297 -1.59 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -53.72 144.6 17.59 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 124.315 1.046 . . . . 0.0 111.528 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.3 97.7 2.06 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.958 -176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -129.97 168.77 16.16 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -110.49 -63.8 1.35 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.109 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.74 -43.77 83.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -66.24 -34.78 78.78 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -67.84 -41.35 83.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 32' ' ' TYR . 9.1 t30 -58.21 -51.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.628 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -71.03 -27.92 64.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.65 -55.94 25.15 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -64.78 -37.39 87.44 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.249 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.7 tpp -59.46 -40.82 88.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.438 0.695 . . . . 0.0 109.85 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -79.18 -45.17 20.44 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.482 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 23.6 tptm -60.17 -60.5 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.693 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 37.6 mt-10 -128.55 5.71 5.65 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 64.37 75.5 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.259 1.028 . . . . 0.0 108.23 -174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.25 171.16 8.39 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.23 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -80.93 -45.23 17.03 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 15.2 p90 -163.0 150.15 13.0 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.062 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.93 146.96 16.67 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -149.59 150.43 32.2 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.85 137.47 32.74 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -143.27 127.64 17.8 Favored 'General case' 0 N--CA 1.408 -2.543 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 73.1 m80 65.79 10.72 7.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.092 0.957 . . . . 0.0 112.273 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.18 10.0 55.02 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.544 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.84 156.49 41.26 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 120.857 0.361 . . . . 0.0 110.759 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.9 113.02 20.66 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.485 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.99 134.86 47.38 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.6 m -101.85 121.82 42.82 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.049 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.64 127.27 51.1 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.403 0.62 . . . . 0.0 110.839 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.474 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 72.1 m-85 -117.77 170.35 8.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -104.96 103.39 12.95 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.486 -0.886 . . . . 0.0 108.643 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -90.74 111.7 23.18 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -120.46 109.94 15.89 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.761 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m -100.96 93.32 5.45 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.381 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.0 102.32 1.32 Allowed Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -77.46 138.59 39.33 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -69.48 141.97 53.85 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.924 0.765 . . . . 0.0 109.295 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -60.88 100.62 0.12 Allowed 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.256 1.022 . . . . 0.0 111.084 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.34 -33.35 43.12 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -96.42 85.56 3.95 Favored 'General case' 0 N--CA 1.407 -2.604 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.439 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -93.18 -23.86 18.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.611 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.85 103.34 7.73 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.277 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.63 -178.57 35.68 Favored Glycine 0 N--CA 1.426 -1.979 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -102.75 126.13 49.75 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 118.592 1.196 . . . . 0.0 108.927 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -79.43 127.2 31.81 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.15 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.92 142.08 36.47 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -60.48 -64.72 0.85 Allowed 'General case' 0 C--N 1.316 -0.856 0 O-C-N 123.862 0.726 . . . . 0.0 111.626 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -59.98 -39.54 86.05 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.071 0.232 . . . . 0.0 111.487 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -51.22 -63.66 1.06 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.293 0.995 . . . . 0.0 111.274 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -73.84 -21.24 60.19 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.517 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -64.28 -61.03 2.5 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -67.02 -32.05 73.01 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.342 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -59.03 -64.51 0.92 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 123.847 0.717 . . . . 0.0 109.968 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m -59.08 -36.37 74.98 Favored 'General case' 0 C--O 1.25 1.107 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 49.7 ttm -58.3 -38.81 77.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.475 0.71 . . . . 0.0 111.369 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.81 -41.63 9.12 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.169 0.509 . . . . 0.0 110.086 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.18 -55.2 33.88 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 125.425 1.49 . . . . 0.0 112.859 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -132.56 16.14 4.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.713 0.292 . . . . 0.0 111.44 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.578 ' HA ' ' O ' ' A' ' 25' ' ' MET . 6.1 m-20 55.29 64.65 1.71 Allowed 'General case' 0 CA--C 1.493 -1.244 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.519 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -87.37 156.62 19.52 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.664 175.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.24 -49.4 35.41 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -163.39 145.41 9.76 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.633 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -107.58 153.49 16.8 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 173.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -148.47 164.24 34.77 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 t -106.0 110.4 22.65 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -114.84 107.5 15.5 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.14 25.4 15.21 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 112.292 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.71 8.1 59.66 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.772 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -120.26 134.72 55.2 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.5 m -80.55 101.45 9.16 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.803 0.335 . . . . 0.0 111.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.14 133.23 42.06 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 74.0 m -119.92 123.93 44.77 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 121.16 0.505 . . . . 0.0 109.926 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -93.24 118.22 30.99 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.717 -173.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 95.3 m-85 -109.7 168.42 9.42 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.403 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -70.43 110.24 5.23 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.854 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.067 174.207 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -77.37 143.58 38.6 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 121.093 0.473 . . . . 0.0 110.358 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.07 107.69 18.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.126 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.23 92.14 3.83 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.67 135.02 12.03 Favored Glycine 0 C--N 1.299 -1.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.389 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -93.38 148.13 22.33 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -58.67 152.0 19.66 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 123.818 0.699 . . . . 0.0 110.209 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.5 m -93.85 162.14 14.03 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.28 0.562 . . . . 0.0 112.08 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -112.56 5.49 17.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 171.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -75.89 11.64 1.35 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -72.18 -34.77 68.69 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -104.84 83.26 1.98 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.12 -160.45 28.16 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.649 -2.58 . . . . 0.0 106.649 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 13.5 tppt? -139.96 156.05 46.84 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 118.677 1.239 . . . . 0.0 109.198 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 51.6 t -76.65 122.6 24.9 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 95.4 m-85 -128.11 102.57 6.78 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 174.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 34' ' ' SER . 44.9 t-80 -52.28 -57.16 10.59 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -62.79 -46.86 86.04 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-O 120.558 0.218 . . . . 0.0 110.965 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -58.59 -54.4 47.47 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -65.01 -37.34 87.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.619 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.3 -51.88 67.92 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 120.667 0.27 . . . . 0.0 110.667 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -80.29 -28.26 38.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -59.92 -50.26 74.46 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.53 -46.92 77.7 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.278 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.72 -38.53 85.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.592 0.234 . . . . 0.0 111.327 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -84.29 -64.62 1.13 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.013 0.435 . . . . 0.0 111.748 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -74.12 -40.99 62.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -98.29 -2.84 38.55 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t70 54.32 71.08 0.54 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.246 1.022 . . . . 0.0 110.196 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.08 170.46 8.84 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.725 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -84.01 -49.19 9.17 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -166.36 153.01 9.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -123.65 131.41 8.05 Favored Glycine 0 C--N 1.293 -1.853 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.541 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 10.6 t -124.67 166.6 15.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -97.36 127.64 43.49 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.0 t -130.87 110.79 11.55 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.12 16.3 10.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.966 0.906 . . . . 0.0 111.256 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.89 16.71 35.01 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -127.31 151.37 48.84 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.658 0.266 . . . . 0.0 111.253 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 72.8 m -88.45 99.38 12.24 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.019 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -95.55 114.45 26.21 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.241 0.543 . . . . 0.0 109.693 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 69.7 m -94.53 124.39 38.53 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.977 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.61 130.14 45.14 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.786 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -112.22 175.64 5.35 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.066 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -95.91 104.28 16.21 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.38 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.544 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -120.88 123.27 42.11 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -92.25 128.73 38.2 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.232 0.539 . . . . 0.0 110.196 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.8 m -125.24 114.92 19.6 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 42' ' ' CYS . . . -90.22 137.96 14.25 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 62.2 pttt -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -76.9 122.46 24.88 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -77.34 81.48 3.82 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-O 121.982 0.896 . . . . 0.0 112.714 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -81.04 -28.75 35.25 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 t -77.12 118.33 19.55 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 170.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -75.97 119.51 20.04 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.412 0.625 . . . . 0.0 112.351 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.6 125.12 49.92 Favored 'General case' 0 CA--C 1.489 -1.395 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 172.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.36 -37.59 90.63 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -128.12 174.93 8.82 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 121.893 0.854 . . . . 0.0 110.44 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -140.91 120.19 13.0 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 113.723 -1.58 . . . . 0.0 108.921 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.73 112.46 19.79 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -55.73 -39.47 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.826 0.704 . . . . 0.0 112.876 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.07 -46.96 75.86 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.004 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.38 -48.45 81.22 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.943 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.97 -43.14 86.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.469 0.481 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -61.51 -58.75 6.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.308 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -67.5 -32.15 72.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.42 -62.62 1.32 Allowed 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.363 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 m -63.95 -35.93 82.31 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.407 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 50.6 ttm -61.13 -35.87 78.2 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.694 0.283 . . . . 0.0 110.802 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -88.82 -56.5 3.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.133 0.492 . . . . 0.0 110.217 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.85 -45.44 92.58 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.63 13.22 13.32 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.817 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 51.71 67.75 0.91 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 122.324 1.059 . . . . 0.0 110.013 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -104.45 167.59 9.64 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.854 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -79.91 -43.39 22.29 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -169.25 161.35 10.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.949 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 139.11 12.51 Favored Glycine 0 C--N 1.294 -1.769 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -145.04 173.67 11.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 117.715 0.757 . . . . 0.0 109.458 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.2 m -102.1 133.14 47.42 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.186 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 41' ' ' TYR . 42.8 t -147.99 128.73 14.25 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 m80 69.53 2.4 3.74 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.069 0.948 . . . . 0.0 111.637 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.07 5.26 62.54 Favored Glycine 0 C--O 1.239 0.458 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.82 157.98 17.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 C-N-CA 123.5 0.72 . . . . 0.0 110.274 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -94.1 111.11 22.8 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.496 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 56.9 m-85 -109.45 127.36 54.35 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' HE2' ' A' ' 6' ' ' LYS . 61.4 m -105.53 122.46 46.05 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.5 129.37 43.88 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -124.61 -179.43 4.5 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -89.61 136.7 32.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.317 -0.816 0 C-N-CA 123.384 0.674 . . . . 0.0 110.996 -179.681 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -93.3 124.96 37.64 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-O 121.276 0.56 . . . . 0.0 109.979 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.54 134.72 22.82 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.301 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.54 137.64 52.02 Favored 'General case' 0 C--N 1.278 -2.521 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.948 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.05 133.98 11.59 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.484 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -116.92 135.0 54.05 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -89.77 136.46 33.02 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 m -71.05 149.94 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.436 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -64.91 -48.7 73.21 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m 63.0 85.64 0.13 Allowed 'General case' 0 C--O 1.251 1.138 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.867 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -76.76 -46.32 25.66 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.933 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -172.7 91.9 0.11 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.425 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.93 156.94 27.0 Favored Glycine 0 N--CA 1.423 -2.183 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -104.78 137.43 42.59 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.9 t -82.84 117.51 22.77 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.429 0.633 . . . . 0.0 112.229 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.68 145.06 44.31 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -58.84 -47.74 83.76 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -65.36 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.838 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -63.82 -52.83 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.004 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.01 -40.37 95.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.891 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -69.38 -53.15 20.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.091 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 85.0 m-70 -65.4 -29.06 69.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 52.6 t-105 -71.48 -65.14 0.79 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.6 m -65.96 -33.85 76.77 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -171.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttt -83.59 -33.85 25.27 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 119.601 1.092 . . . . 0.0 109.424 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 34.5 mt-10 -88.54 -30.58 19.21 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.428 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' TRP . 19.1 tptm -98.58 -50.94 4.09 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -91.62 -7.11 50.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.405 0.621 . . . . 0.0 109.62 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.3 t70 58.72 33.56 23.16 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.137 1.375 . . . . 0.0 109.683 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.8 163.72 25.19 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.582 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.47 -46.19 84.12 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -171.41 167.87 6.68 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.469 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.23 141.7 13.01 Favored Glycine 0 N--CA 1.436 -1.364 0 N-CA-C 109.746 -1.341 . . . . 0.0 109.746 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.8 m -141.67 168.7 19.13 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 117.368 0.584 . . . . 0.0 110.43 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.78 131.91 54.5 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -132.86 110.76 10.54 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 67.92 19.25 9.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.816 0.846 . . . . 0.0 111.267 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.32 4.68 73.65 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.766 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -110.01 141.14 43.24 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.29 119.31 26.43 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.461 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -119.06 124.81 47.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.8 m -109.12 131.6 54.91 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.79 128.43 49.55 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.17 0.509 . . . . 0.0 111.769 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -115.92 154.93 28.88 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -72.84 107.75 5.42 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 126.616 1.966 . . . . 0.0 114.273 -176.507 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 87.4 tttt -90.09 115.16 27.14 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -72.64 128.22 34.92 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.574 0.546 . . . . 0.0 109.777 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 67.0 m -128.68 116.28 19.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.551 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.0 109.58 3.38 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -80.41 151.11 29.52 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -62.25 152.84 32.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.614 0.721 . . . . 0.0 110.95 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -80.3 72.47 7.15 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.518 -174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -92.23 -0.47 57.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.429 1.109 . . . . 0.0 109.065 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -105.84 36.07 2.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 172.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -44.68 139.39 2.94 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 127.152 2.181 . . . . 0.0 113.998 -172.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.96 129.56 25.97 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.34 -62.11 4.97 Favored Glycine 0 CA--C 1.499 -0.924 0 O-C-N 123.945 0.778 . . . . 0.0 113.451 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -92.13 133.44 35.76 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.56 91.13 7.36 Favored 'General case' 0 C--N 1.276 -2.63 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 99.1 m-85 -77.52 115.22 17.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -53.68 -72.41 0.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.039 0.837 . . . . 0.0 112.541 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 60.4 tttm -68.26 -35.67 78.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.162 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 16' ' ' PHE . 59.5 tptt -64.47 -50.01 69.16 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -73.1 -29.68 63.1 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.609 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -55.11 -55.85 26.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.869 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 52.5 m-70 -70.87 -28.98 64.97 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.444 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -59.31 -60.29 4.09 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.68 -41.34 88.26 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -57.87 -43.56 86.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -57.62 2.83 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -72.57 -41.39 65.77 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -95.77 -4.38 44.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -172.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.06 22.93 5.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.346 1.069 . . . . 0.0 110.102 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -78.79 162.9 25.78 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.246 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.34 -38.8 15.89 Favored 'General case' 0 C--N 1.283 -2.301 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.233 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -161.61 150.19 15.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.608 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.16 132.73 10.84 Favored Glycine 0 C--N 1.296 -1.642 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 t -136.46 144.51 44.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 117.59 0.695 . . . . 0.0 109.981 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.93 128.01 33.26 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.394 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 21.0 t -144.13 121.49 11.63 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.3 m80 67.67 13.59 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.356 1.062 . . . . 0.0 111.588 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.58 -9.43 62.45 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -102.88 158.09 16.51 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 120.622 0.248 . . . . 0.0 110.641 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 34.0 m-85 -95.34 116.85 29.33 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.4 m -94.16 118.12 31.09 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 30.8 m-85 -91.74 127.75 37.31 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.545 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -120.92 179.14 4.46 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 35.3 p-80 -104.61 137.11 42.94 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.941 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.295 -1.784 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.343 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 60.1 pttt -138.41 83.47 1.97 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.951 0.881 . . . . 0.0 110.436 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -105.65 92.62 4.26 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.712 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -96.96 111.74 23.81 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.363 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.39 156.31 22.63 Favored Glycine 0 N--CA 1.433 -1.56 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.105 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -61.73 139.0 58.37 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.596 1.158 . . . . 0.0 110.808 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -72.52 101.43 2.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 168.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.456 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 t -86.92 109.72 19.53 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 122.234 1.016 . . . . 0.0 112.389 -168.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -98.15 -32.57 11.53 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.25 -1.341 . . . . 0.0 107.687 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -95.31 104.56 16.45 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.421 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CZ2' ' HB3' ' A' ' 8' ' ' SER . 3.4 m-90 -128.66 99.73 5.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -134.33 105.64 6.71 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.17 -166.68 12.21 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -92.74 151.62 19.95 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.8 t -86.66 114.18 23.15 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.465 0.65 . . . . 0.0 110.937 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.99 113.99 23.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -48.25 -53.6 16.56 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.54 -38.69 77.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.78 -32.87 70.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.8 -42.45 95.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.264 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.26 -48.84 73.42 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.788 0.328 . . . . 0.0 111.33 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -73.0 -33.3 65.69 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.235 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -63.6 -48.33 77.78 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.88 -43.99 97.72 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.186 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.15 -47.74 83.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 0.0 110.352 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.2 -51.69 29.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.79 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.97 -40.96 10.83 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -170.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -103.94 -15.3 15.68 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -169.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.93 82.82 0.16 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.067 0.854 . . . . 0.0 109.23 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.44 6.26 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.865 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -82.72 -48.73 10.53 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -157.6 151.84 24.7 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.0 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.21 149.48 18.74 Favored Glycine 0 CA--C 1.479 -2.206 0 N-CA-C 107.502 -2.239 . . . . 0.0 107.502 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 m -150.92 174.23 13.35 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 117.268 0.534 . . . . 0.0 110.47 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.1 t -111.42 112.39 24.1 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -110.64 105.56 14.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.708 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 68.21 17.21 9.37 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.484 1.113 . . . . 0.0 111.459 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 5.12 58.23 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.58 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -114.13 136.03 53.38 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -74.29 129.74 38.37 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.487 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -138.68 143.66 39.27 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.327 0.584 . . . . 0.0 112.402 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.94 137.48 45.87 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -113.89 133.53 55.38 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.278 0.561 . . . . 0.0 111.563 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -123.51 -171.69 2.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.658 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.53 145.19 29.89 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.989 172.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 35.5 m . . . . . 0 C--N 1.284 -2.248 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 N--CA 1.432 -1.33 0 CA-C-O 121.497 0.665 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -110.22 105.65 14.79 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -93.31 96.44 9.97 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 126.54 8.12 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.402 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . 24.4 tptm -65.71 142.96 57.83 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 124.432 1.093 . . . . 0.0 109.393 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -72.98 111.88 8.5 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 m -74.68 83.47 2.09 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-O 121.645 0.736 . . . . 0.0 112.846 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 8.5 23.0 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.001 171.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -88.54 103.92 16.34 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -77.36 138.8 39.53 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.393 0.616 . . . . 0.0 110.415 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -141.59 150.99 42.76 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.79 -74.06 0.51 Allowed Glycine 0 C--N 1.315 -0.609 0 O-C-N 123.524 0.515 . . . . 0.0 113.405 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -113.38 138.63 49.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.29 129.13 36.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 120.916 0.389 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -137.02 129.1 29.43 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -50.74 -54.09 26.19 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.505 0.722 . . . . 0.0 112.394 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 64.5 tttm -61.02 -46.86 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.948 0.404 . . . . 0.0 111.033 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -71.12 -30.32 66.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.679 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.95 -44.51 84.8 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.5 -52.52 65.3 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.542 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 27.9 m-70 -57.14 -51.86 67.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.812 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.73 -55.53 33.93 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.514 0.509 . . . . 0.0 111.054 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -56.16 -42.2 76.64 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 54.4 ttm -61.27 -48.43 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.297 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -71.52 -39.42 70.76 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.054 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 28.6 tptp -66.52 -56.34 11.28 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 124.775 1.23 . . . . 0.0 113.3 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 24.4 mt-10 -139.4 25.66 2.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 54.83 59.32 4.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.697 1.237 . . . . 0.0 109.659 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.84 147.89 24.16 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' N ' ' HE2' ' A' ' 31' ' ' LYS . 9.9 mmpt? -70.41 -41.03 73.51 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.943 0.878 . . . . 0.0 109.118 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB2' ' A' ' 31' ' ' LYS . 25.5 p90 -160.41 167.92 26.29 Favored 'General case' 0 N--CA 1.412 -2.338 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.462 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 140.64 11.92 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -130.87 147.13 52.49 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -96.01 118.91 33.55 Favored 'General case' 0 N--CA 1.416 -2.136 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 23.3 t -136.66 127.15 26.8 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 68.07 15.21 9.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.422 1.089 . . . . 0.0 110.337 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.08 17.36 74.64 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.589 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.89 150.26 40.17 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-O 121.161 0.505 . . . . 0.0 110.404 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -85.09 109.99 18.64 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 39.4 m-85 -103.08 121.15 42.01 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.216 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -89.79 131.72 35.59 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -111.54 126.77 55.34 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.567 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 6' ' ' LYS . 39.6 m-85 -107.7 179.5 4.21 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.464 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -126.33 109.59 12.42 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 C--N 1.298 -1.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.855 -178.572 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.299 0.571 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -85.83 143.35 28.32 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.7 m -120.64 112.82 19.37 Favored 'General case' 0 C--N 1.28 -2.428 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.841 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.31 117.31 4.5 Favored Glycine 0 N--CA 1.423 -2.228 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -74.94 120.0 19.87 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 72.2 m80 -61.79 142.77 57.09 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.764 -172.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -71.22 147.83 47.86 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.942 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.04 -10.16 57.22 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m 71.14 175.58 0.29 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.84 1.256 . . . . 0.0 109.614 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.3 m95 66.54 20.81 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.344 0.658 . . . . 0.0 112.598 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.34 132.84 47.77 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -46.94 58.79 Favored Glycine 0 CA--C 1.503 -0.667 0 O-C-N 124.024 0.827 . . . . 0.0 112.267 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -150.61 135.71 17.69 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 172.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.11 88.98 6.43 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -77.58 150.32 34.73 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.855 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.22 -74.18 0.5 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -71.26 -41.64 69.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -62.91 -44.53 95.84 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.249 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.6 -33.66 66.87 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.21 -53.13 61.77 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.197 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -68.71 -31.81 71.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.916 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -60.46 -60.55 3.63 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.1 m -58.85 -42.02 88.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 53.1 ttp -61.0 -28.55 69.11 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.873 0.469 . . . . 0.0 112.241 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -103.62 -45.15 4.9 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.757 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -68.09 -45.42 73.8 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -113.7 0.84 14.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.983 0.421 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' MET . 18.4 m-20 61.98 48.59 5.1 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.078 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.63 164.83 24.31 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.382 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -85.31 -43.66 13.52 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.52 149.03 20.11 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -112.56 138.51 15.03 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -133.28 152.42 51.93 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 117.38 0.59 . . . . 0.0 110.559 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.3 t -96.51 113.57 25.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 18.8 m -118.59 107.88 14.27 Favored 'General case' 0 N--CA 1.409 -2.498 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.723 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.95 18.19 11.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.125 0.97 . . . . 0.0 112.09 173.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 5.78 54.33 Favored Glycine 0 C--O 1.243 0.688 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.295 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.47 136.21 54.84 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 123.199 0.6 . . . . 0.0 109.866 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.48 120.53 27.91 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.277 0.561 . . . . 0.0 110.393 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 7' ' ' HIS . 41.9 m-85 -113.01 124.23 52.15 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.117 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 60.9 m -106.42 128.38 54.01 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.036 0.446 . . . . 0.0 110.57 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -100.46 130.53 46.55 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.791 -172.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -122.03 174.55 6.85 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.28 128.44 53.98 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.798 173.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 tptt . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.91 138.32 31.64 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.042 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.2 m -126.93 118.98 25.64 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.17 -171.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.0 117.24 4.37 Favored Glycine 0 N--CA 1.433 -1.528 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 44' ' ' TYR . 67.7 mttm -108.36 170.4 8.04 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 120.82 0.343 . . . . 0.0 110.379 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -72.48 132.42 43.83 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -75.92 157.6 33.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.705 0.288 . . . . 0.0 110.388 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -119.45 -13.45 9.23 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.593 0.711 . . . . 0.0 110.07 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -136.55 121.36 18.63 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -119.07 144.76 46.4 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.63 159.63 19.8 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -24.41 64.97 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 121.313 0.396 . . . . 0.0 113.633 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 87.1 tttt -144.43 156.57 44.26 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 t -81.48 81.46 7.59 Favored 'General case' 0 N--CA 1.413 -2.282 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.625 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 96.7 m-85 -83.09 101.77 11.38 Favored 'General case' 0 N--CA 1.415 -2.199 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -54.52 -50.73 67.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -171.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -71.78 -38.52 70.29 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -71.29 -49.62 40.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.905 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.23 -26.72 64.94 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.65 -59.35 4.83 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.676 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -72.71 -28.91 62.95 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.179 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -58.82 -57.28 13.73 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.53 -29.52 66.02 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 27.6 ttt -62.35 -37.71 86.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -85.9 -42.46 14.07 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.767 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -56.69 -59.47 4.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 124.339 1.056 . . . . 0.0 111.303 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -120.38 13.07 11.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' MET . 26.5 t70 59.69 35.14 22.26 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.62 1.2 . . . . 0.0 109.893 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 142.01 58.58 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -68.97 -42.29 76.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -165.35 133.94 3.26 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.126 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.56 135.05 12.06 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -138.37 156.26 47.77 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 122.334 -0.509 . . . . 0.0 110.649 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.47 119.71 24.55 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.651 0.739 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 45.0 m -133.65 117.71 17.32 Favored 'General case' 0 N--CA 1.409 -2.496 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 m170 72.98 5.42 5.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 125.073 1.349 . . . . 0.0 110.754 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.91 60.68 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -101.5 156.23 17.59 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.04 116.76 28.32 Favored 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 39.9 m-85 -111.81 134.15 53.56 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.202 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.12 119.5 31.3 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.787 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -98.79 126.66 44.49 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.475 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 85.0 m-85 -114.94 -170.96 1.85 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -120.19 134.03 55.35 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.261 1.688 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.773 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 N--CA 1.438 -1.054 0 CA-C-O 121.298 0.57 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.476 ' CD2' ' HE2' ' A' ' 32' ' ' TYR . 34.8 m80 -123.44 145.05 49.11 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.418 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 19.7 t -139.32 121.83 16.2 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 124.521 1.128 . . . . 0.0 109.258 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.19 112.13 4.23 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.689 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -106.78 152.16 24.22 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.64 126.25 29.09 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -70.56 116.2 10.62 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.352 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -78.53 -14.1 59.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.003 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.8 t -78.62 140.42 38.44 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -80.65 79.06 7.35 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.969 0.89 . . . . 0.0 110.909 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.46 78.26 1.25 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.984 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.79 45.61 Favored Glycine 0 N--CA 1.427 -1.943 0 CA-C-N 114.152 -1.385 . . . . 0.0 112.234 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.95 115.77 21.94 Favored 'General case' 0 N--CA 1.421 -1.899 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -83.55 98.11 9.4 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.601 -168.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.8 109.41 4.58 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -48.59 -50.23 33.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.277 0.631 . . . . 0.0 111.907 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -58.08 -44.25 87.47 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.519 . . . . 0.0 111.137 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -68.51 -53.75 21.23 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.537 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 58.8 m -62.64 -37.31 85.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.218 -174.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' HA ' ' H ' ' A' ' 33' ' ' GLY . 42.5 t30 -57.65 -59.21 5.55 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.925 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -71.24 -27.5 63.51 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.193 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.35 -61.62 2.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.351 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.25 -31.57 71.14 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.227 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 50.3 ttm -60.95 -38.24 85.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.887 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.53 -35.24 14.41 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.22 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -72.65 -60.54 2.18 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.89 15.19 16.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' ' 25' ' ' MET . 7.1 m-20 52.65 58.88 4.91 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.694 -1.139 . . . . 0.0 113.189 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.09 164.43 15.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.038 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -73.06 -38.64 66.38 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.476 ' HE2' ' CD2' ' A' ' 3' ' ' HIS . 54.9 p90 -166.81 163.7 16.4 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.134 174.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' H ' ' HA ' ' A' ' 21' ' ' ASN . . . -123.49 138.93 11.82 Favored Glycine 0 N--CA 1.428 -1.892 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -142.6 152.84 42.94 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 117.64 0.72 . . . . 0.0 111.082 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -83.09 120.65 26.03 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.956 0.884 . . . . 0.0 112.11 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -122.08 113.91 20.18 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-N 114.478 -1.237 . . . . 0.0 107.674 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 63.56 17.86 10.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.872 0.869 . . . . 0.0 113.208 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 15.36 39.95 Favored Glycine 0 C--O 1.219 -0.833 0 C-N-CA 119.695 -1.241 . . . . 0.0 112.792 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.13 153.69 51.66 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 20' ' ' CYS . 74.5 m -104.02 117.67 34.85 Favored 'General case' 0 C--N 1.274 -2.711 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.609 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -93.23 151.88 19.54 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -100.24 124.45 45.71 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.688 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 50.7 m-85 -103.49 119.54 39.09 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-O 121.49 0.662 . . . . 0.0 110.694 -178.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -124.99 -157.44 0.78 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -112.96 138.68 49.46 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.301 -1.507 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 121.157 0.503 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -94.19 126.78 39.63 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.95 107.18 18.6 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.823 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.54 134.24 12.43 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.157 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.38 116.95 16.65 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.489 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 53.7 m80 -75.99 149.96 37.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.234 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -81.18 83.47 6.8 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.474 0.654 . . . . 0.0 109.806 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.0 -60.05 1.61 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -113.87 15.21 18.63 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.177 0.513 . . . . 0.0 111.347 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -118.05 94.82 4.65 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.098 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -114.2 155.27 26.41 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.062 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.73 -162.88 28.56 Favored Glycine 0 N--CA 1.424 -2.15 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 16' ' ' PHE . 86.8 tttt -86.23 142.38 28.63 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 21.1 t -81.86 95.99 7.49 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.788 0.804 . . . . 0.0 110.17 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 91.6 m-85 -95.6 107.61 19.81 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 175.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -51.51 -57.49 8.9 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.303 0.641 . . . . 0.0 112.612 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.94 -40.1 63.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.918 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.69 -42.33 82.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.524 -0.47 . . . . 0.0 112.034 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 96.4 m -68.87 -37.24 78.93 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -55.89 -54.43 44.72 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.463 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -71.56 -32.02 67.63 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -58.03 -52.93 63.5 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.41 -44.25 71.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.017 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 28.2 ttt -61.02 -45.36 95.11 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.858 0.463 . . . . 0.0 111.511 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.0 -56.91 4.03 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.21 -37.73 32.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -103.4 -2.49 26.89 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.541 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' MET . 28.2 t70 52.92 55.67 8.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 123.129 1.442 . . . . 0.0 110.71 -174.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.9 18.93 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.349 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 45' ' ' HIS . 65.2 mttm -74.29 -56.19 5.17 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -151.19 138.36 19.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.97 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -106.2 116.65 5.18 Favored Glycine 0 N--CA 1.428 -1.897 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 m -113.1 172.02 7.19 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 t -107.29 124.18 49.41 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.5 m -112.73 98.03 6.95 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.421 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 53.9 35.68 22.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.127 0.971 . . . . 0.0 112.966 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . . . 102.66 -2.32 49.19 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.239 -0.982 . . . . 0.0 113.851 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -118.77 141.49 48.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 117.414 0.607 . . . . 0.0 110.621 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 84.1 m -80.86 112.03 17.87 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.996 0.427 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.489 ' CE2' ' HA ' ' A' ' 7' ' ' HIS . 9.5 m-85 -107.08 113.11 26.37 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.614 0.721 . . . . 0.0 111.067 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 55.6 m -99.12 115.94 30.19 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.785 -177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -93.75 126.1 38.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.082 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.06 175.64 5.41 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 4.4 p80 -91.63 133.28 35.7 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.359 -0.936 . . . . 0.0 108.775 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--N 1.293 -1.848 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.025 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -68.86 126.88 31.15 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 121.757 0.789 . . . . 0.0 109.281 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.35 105.57 16.2 Favored 'General case' 0 C--N 1.26 -3.288 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.13 127.32 8.5 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.659 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.67 128.55 56.42 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.27 118.81 15.61 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 40' ' ' CYS . 46.6 t -110.23 165.8 11.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.602 0.715 . . . . 0.0 111.683 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.91 -13.13 51.79 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 73.2 174.74 0.28 Allowed 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.844 1.258 . . . . 0.0 112.156 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -95.26 121.18 36.65 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.75 113.19 5.31 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.327 0.584 . . . . 0.0 110.201 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.58 -152.62 23.99 Favored Glycine 0 N--CA 1.422 -2.258 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -93.56 134.31 35.96 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.2 t -89.29 129.32 35.86 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.279 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.94 141.46 48.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.71 -54.08 50.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -64.58 -41.68 96.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.176 0.512 . . . . 0.0 110.839 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.87 -34.81 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.1 -41.01 95.34 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.85 -53.8 52.39 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.137 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.99 -38.26 90.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.43 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -59.51 -60.03 4.51 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 123.427 0.454 . . . . 0.0 110.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.69 -40.39 79.35 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.494 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 27.2 ttt -67.65 -43.74 79.55 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.898 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.46 -36.27 39.05 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.343 0.592 . . . . 0.0 111.021 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.91 -52.15 10.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.52 12.37 8.67 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.636 -0.826 . . . . 0.0 111.996 -172.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' MET . 33.0 t70 51.78 73.46 0.32 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 122.597 1.189 . . . . 0.0 111.37 -171.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -103.26 168.42 9.19 Favored 'General case' 0 C--N 1.274 -2.677 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 45' ' ' HIS . 27.8 mtpp -82.27 -35.03 28.47 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 121.554 0.693 . . . . 0.0 109.142 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -166.29 177.61 6.74 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.487 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.71 23.1 Favored Glycine 0 N--CA 1.417 -2.568 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -142.15 142.75 32.76 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 117.579 0.689 . . . . 0.0 109.696 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.53 118.18 26.83 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 37.9 t -116.86 109.02 16.55 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 65.97 13.87 9.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.866 0.866 . . . . 0.0 111.639 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 6.06 40.79 Favored Glycine 0 N--CA 1.434 -1.444 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.034 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -124.29 152.8 42.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.476 0.638 . . . . 0.0 110.374 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.1 m -79.9 127.26 32.03 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 20.6 m-85 -124.43 127.01 46.88 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 173.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -96.5 137.01 36.21 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.68 129.69 56.57 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.657 0.741 . . . . 0.0 111.785 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -116.98 -175.46 2.78 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 31' ' ' LYS . 42.7 p-80 -100.55 134.19 43.88 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 m . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 123.516 0.726 . . . . 0.0 109.064 174.04 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 98.0 mttt . . . . . 0 N--CA 1.436 -1.171 0 CA-C-O 120.328 0.109 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -75.28 117.01 16.63 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -119.91 111.77 18.36 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.007 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.05 102.57 2.51 Favored Glycine 0 CA--C 1.487 -1.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.702 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.56 132.04 35.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 120.975 0.417 . . . . 0.0 110.379 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -78.35 103.54 8.36 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 170.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -62.06 168.18 3.44 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -53.19 -17.84 1.93 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t 73.45 94.21 0.08 Allowed 'General case' 0 C--O 1.241 0.658 0 CA-C-O 122.483 1.135 . . . . 0.0 112.002 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -113.6 101.29 9.19 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.71 74.25 4.3 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.149 -1.02 . . . . 0.0 113.718 -170.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.93 -77.53 1.17 Allowed Glycine 0 N--CA 1.423 -2.193 0 N-CA-C 105.306 -3.117 . . . . 0.0 105.306 168.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -147.16 133.92 20.04 Favored 'General case' 0 N--CA 1.411 -2.418 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.68 105.25 14.44 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 120.987 0.423 . . . . 0.0 109.977 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 79.6 m-85 -104.33 113.15 26.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.28 -39.49 94.74 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 122.949 0.156 . . . . 0.0 111.172 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -66.49 -51.3 58.2 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 122.815 0.446 . . . . 0.0 110.415 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 55.4 tttp -60.39 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.716 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -59.56 -50.37 74.17 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 110.596 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.13 -29.09 57.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.92 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -59.75 -56.95 15.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.64 -44.79 92.83 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.16 -47.71 77.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.549 0.34 . . . . 0.0 111.595 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -83.18 -61.47 1.84 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.015 0.436 . . . . 0.0 111.095 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -68.97 -45.13 71.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -173.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.21 -5.53 40.22 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.98 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.3 t70 53.68 77.54 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.907 1.283 . . . . 0.0 110.191 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.04 173.69 8.53 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.402 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -83.74 -61.71 1.76 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.673 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.88 151.89 31.87 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.386 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.49 137.37 13.79 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 m -132.33 149.45 52.36 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 t -96.4 132.01 42.37 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -128.09 103.44 7.22 Favored 'General case' 0 N--CA 1.415 -2.186 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 66.01 4.16 2.92 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.552 1.141 . . . . 0.0 112.768 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.28 1.61 11.15 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.491 -0.862 . . . . 0.0 113.126 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.84 146.07 45.16 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -95.86 128.39 42.7 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 121.233 0.539 . . . . 0.0 110.276 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -111.69 124.18 51.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.616 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.14 120.85 42.88 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.03 127.94 37.68 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.553 -174.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.8 177.08 5.42 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 26.0 p80 -103.48 138.71 39.82 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--N 1.278 -2.51 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.263 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -79.11 136.96 37.29 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.292 0.567 . . . . 0.0 109.656 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.6 m -119.71 104.4 10.21 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.56 130.47 9.77 Favored Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.468 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -70.71 122.77 20.45 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -79.69 133.69 36.38 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -72.04 101.44 2.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.988 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.16 -24.74 47.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -83.6 89.3 7.09 Favored 'General case' 0 N--CA 1.412 -2.373 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -69.73 -44.31 70.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.878 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -81.45 104.51 11.94 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.49 128.51 1.32 Allowed Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.073 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -77.56 127.4 32.43 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.42 121.82 29.51 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 121.454 0.645 . . . . 0.0 111.257 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 90.7 m-85 -115.55 126.59 54.43 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 35' ' ' CYS . 20.2 m-70 -60.75 -61.0 2.9 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -174.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 65.2 tttp -62.36 -43.26 99.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -63.74 -42.5 97.86 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.622 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.82 -46.77 78.0 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.0 -58.76 7.17 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.764 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 73.6 m-70 -65.81 -35.66 81.32 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -69.71 -55.84 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 31.2 m -64.06 -43.46 95.44 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 26.4 ttt -59.94 -33.13 71.49 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.112 0.482 . . . . 0.0 111.328 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.86 -63.77 1.16 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.057 0.456 . . . . 0.0 111.056 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -73.04 -38.56 66.47 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.832 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -92.76 -4.36 53.22 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.664 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 65.57 20.32 11.62 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.56 1.172 . . . . 0.0 110.273 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -73.96 162.43 29.06 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.424 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' A' ' 45' ' ' HIS . 26.7 mtpp -79.81 -46.75 16.36 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -155.71 153.92 30.7 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.497 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.58 141.09 13.81 Favored Glycine 0 CA--C 1.487 -1.676 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 p -143.45 142.72 31.3 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 13.2 t -88.69 109.11 19.86 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -110.95 116.88 31.97 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.73 7.23 5.99 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.509 1.124 . . . . 0.0 111.564 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 13.86 43.85 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.177 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.06 148.11 43.38 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.7 t -87.74 102.43 14.64 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.149 0.5 . . . . 0.0 110.752 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.71 111.99 24.32 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 122.034 0.921 . . . . 0.0 111.345 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.0 m -100.72 114.43 28.17 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.294 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -95.71 129.13 43.02 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.44 -175.72 2.85 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.476 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 4.4 t60 -129.23 125.94 38.01 Favored 'General case' 0 C--N 1.285 -2.203 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.295 -1.775 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.263 177.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 C--O 1.242 0.69 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -101.65 142.87 32.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 t -116.99 92.44 3.86 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.79 113.61 3.95 Favored Glycine 0 C--N 1.289 -2.036 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.337 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -96.5 125.85 41.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -87.83 100.52 12.93 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -70.41 126.81 30.69 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -81.87 0.11 41.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 111.021 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -121.53 122.32 39.42 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -91.05 174.81 7.21 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -77.27 -21.29 53.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.414 1.102 . . . . 0.0 110.484 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -35.95 1.4 Allowed Glycine 0 C--N 1.279 -2.596 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -150.2 158.73 44.47 Favored 'General case' 0 N--CA 1.419 -1.988 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -88.16 122.6 31.9 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.073 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 62.7 m-85 -140.1 138.43 35.29 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -57.96 -64.53 0.88 Allowed 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.024 0.828 . . . . 0.0 112.008 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 94.6 mttt -74.33 -26.23 60.03 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 3.9 tppp? -62.94 -52.93 61.14 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.26 -22.97 61.14 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.111 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.62 -61.53 2.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 74.7 m-70 -67.35 -36.0 80.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 -177.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -58.69 -53.86 53.63 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.979 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.9 m -69.62 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -66.03 -43.26 88.12 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.878 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -80.25 -48.88 12.39 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -88.82 -37.68 15.2 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.759 -0.777 . . . . 0.0 112.721 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -98.71 -2.39 38.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t70 68.96 15.15 8.88 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.085 0.945 . . . . 0.0 111.455 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -70.35 163.88 25.69 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.551 -0.718 . . . . 0.0 109.858 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.56 -43.76 11.15 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -157.9 136.77 11.45 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.089 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.78 159.69 13.83 Favored Glycine 0 C--N 1.29 -1.992 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -154.87 174.78 14.63 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 t -105.79 128.68 53.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -136.33 113.18 10.3 Favored 'General case' 0 N--CA 1.412 -2.342 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 63.74 17.91 10.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.381 1.073 . . . . 0.0 111.842 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.86 7.35 53.22 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.226 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -124.54 145.94 49.29 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 117.176 0.488 . . . . 0.0 110.401 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.8 m -87.23 115.93 24.97 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.78 126.88 52.69 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.898 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.9 m -114.52 116.48 28.88 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 75.7 m-85 -96.09 132.23 41.69 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.879 0.847 . . . . 0.0 112.513 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -114.86 -169.53 1.57 Allowed 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -124.97 114.69 19.46 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 45' ' ' HIS . 25.8 tptp . . . . . 0 N--CA 1.44 -0.952 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.16 128.73 34.91 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.464 0.65 . . . . 0.0 110.822 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -120.69 119.17 32.04 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.79 127.61 9.2 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.76 -1.21 . . . . 0.0 114.023 -171.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -80.51 150.37 29.67 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 123.738 0.649 . . . . 0.0 110.084 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 m -140.55 111.41 6.98 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.267 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 p -161.46 98.26 1.12 Allowed 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 74.5 t-105 -105.99 -45.64 4.3 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -156.58 143.75 18.89 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.64 70.24 Favored Glycine 0 N--CA 1.445 -0.755 0 O-C-N 123.862 0.726 . . . . 0.0 112.31 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -124.04 134.98 53.29 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.62 134.38 46.07 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -135.6 129.54 33.05 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -66.85 -38.68 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 81.0 tttt -63.46 -51.92 63.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.877 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.09 -39.47 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 -50.93 71.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -55.23 -51.05 67.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.32 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 83.3 m-70 -70.1 -25.86 63.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -74.78 -58.63 3.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -56.36 -45.0 80.68 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.16 -41.86 80.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -78.27 -30.58 48.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.86 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -92.89 -53.48 4.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -114.92 18.3 16.5 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 61.98 30.83 18.12 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.89 49.93 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.61 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -77.32 -29.28 53.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.877 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -168.74 167.02 11.44 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.616 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.89 140.38 11.39 Favored Glycine 0 C--N 1.287 -2.188 0 N-CA-C 108.076 -2.01 . . . . 0.0 108.076 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -141.36 -179.23 6.01 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.25 130.53 48.95 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 34.6 t -145.11 129.15 17.53 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.9 m80 67.51 14.17 9.52 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.369 0.668 . . . . 0.0 110.676 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.65 16.99 66.94 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.484 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.92 169.42 16.31 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 40.9 t -85.6 116.03 23.65 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.304 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 36' ' ' SER . 3.1 m-85 -112.11 119.21 37.65 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.087 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.32 126.13 34.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.1 119.07 38.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.89 0.852 . . . . 0.0 111.111 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.68 -175.3 2.68 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.447 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 15.8 t-80 -120.9 135.76 55.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.547 178.508 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? . . . . . 0 N--CA 1.435 -1.187 0 CA-C-O 121.658 0.742 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -102.53 131.68 49.1 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.669 0.747 . . . . 0.0 111.709 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -116.68 99.8 7.38 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.035 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.94 121.08 5.67 Favored Glycine 0 N--CA 1.429 -1.778 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.086 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -77.97 133.71 37.98 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -79.34 125.95 30.17 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -58.25 137.22 57.27 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 124.238 0.961 . . . . 0.0 111.885 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -99.23 0.24 42.81 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.545 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m 64.32 -171.12 0.18 Allowed 'General case' 0 C--O 1.251 1.149 0 O-C-N 124.678 1.236 . . . . 0.0 109.163 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 m95 59.16 30.56 20.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.048 0.928 . . . . 0.0 111.84 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -107.18 30.15 6.47 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.62 -167.86 39.21 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -86.1 130.87 34.4 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -84.55 122.81 29.55 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.696 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 80.6 m-85 -123.54 147.28 47.41 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 173.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -58.45 -77.52 0.03 OUTLIER 'General case' 0 C--O 1.252 1.234 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 18.5 ptpt -75.54 -19.45 59.32 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.682 -175.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' HIS . 64.8 mttp -73.5 -42.64 61.56 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -75.44 -24.73 57.08 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.43 -1.308 . . . . 0.0 108.279 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 8.7 t30 -54.36 -60.34 3.47 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.804 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 35.2 p80 -67.43 -35.91 80.17 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.749 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -57.19 -58.88 6.27 Favored 'General case' 0 C--O 1.204 -1.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.553 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 t -65.02 -36.05 83.14 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.657 0.265 . . . . 0.0 110.823 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ttt -56.64 -33.52 66.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.692 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.69 -43.21 7.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.296 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -70.61 -43.19 69.83 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.47 15.87 10.42 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.346 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 50.95 74.21 0.25 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.842 1.339 . . . . 0.0 110.449 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.7 164.29 12.89 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.672 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -77.87 -48.58 16.08 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -160.16 158.17 29.69 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.862 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.35 127.26 6.54 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -110.91 139.42 46.25 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.56 128.06 50.87 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -131.42 110.86 11.33 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.73 31.14 20.0 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.512 1.125 . . . . 0.0 112.281 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.02 0.58 58.64 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.366 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -112.6 134.6 54.04 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-N 117.672 0.736 . . . . 0.0 110.835 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.5 t -94.54 110.86 22.63 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.529 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.77 111.91 24.23 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -87.18 130.56 34.5 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.63 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -105.78 127.73 53.27 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-O 121.358 0.599 . . . . 0.0 110.963 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.47 173.81 7.78 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -109.17 152.65 24.84 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.264 1.832 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 172.544 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 mttp . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.599 0.714 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -88.36 114.14 24.68 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.231 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.04 108.44 16.34 Favored 'General case' 0 C--N 1.279 -2.49 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.597 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.74 121.75 5.88 Favored Glycine 0 N--CA 1.425 -2.05 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -85.57 130.02 34.68 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -70.31 157.59 37.45 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.939 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -101.52 111.81 24.16 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -130.44 -1.13 4.44 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.042 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -148.54 17.07 1.03 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -115.02 123.57 49.39 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.628 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -130.94 176.13 8.49 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.28 -169.57 17.64 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.01 131.89 35.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -85.48 119.71 26.14 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 96.6 m-85 -113.89 132.53 55.89 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -63.32 -48.32 78.55 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 122.901 0.48 . . . . 0.0 111.734 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.16 -39.08 79.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 16' ' ' PHE . 65.1 mttm -71.58 -33.38 69.0 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.0 -43.01 99.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.46 -51.48 69.27 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.73 -39.37 93.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -57.33 -57.47 12.51 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.201 0.6 . . . . 0.0 110.305 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.76 -37.91 86.04 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.127 0.489 . . . . 0.0 111.473 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.69 -43.13 98.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.247 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.18 -45.55 22.85 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.608 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.66 -57.78 11.24 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.195 0.998 . . . . 0.0 112.038 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -137.46 16.68 2.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.47 71.81 0.54 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.457 1.123 . . . . 0.0 110.261 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.09 157.95 16.0 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.885 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.89 -36.52 64.78 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -160.96 165.55 29.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.007 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.95 125.73 5.93 Favored Glycine 0 N--CA 1.423 -2.21 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -103.56 143.25 32.98 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.3 t -102.08 103.56 14.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 46.9 t -105.37 110.09 22.31 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.353 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 57.95 27.09 14.23 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.06 0.944 . . . . 0.0 112.629 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.22 39.61 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.168 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.81 149.05 50.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 117.345 0.573 . . . . 0.0 111.476 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.15 123.95 33.32 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.676 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' SER . 34.4 m-85 -122.55 123.59 41.59 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.9 m -91.2 125.6 36.02 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.82 123.6 48.22 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 121.905 0.86 . . . . 0.0 113.255 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 38.4 m-85 -118.7 135.08 54.67 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.186 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -84.23 114.24 21.68 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.188 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 N--CA 1.442 -0.841 0 CA-C-O 121.76 0.791 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.19 138.57 51.16 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 47.1 t -117.7 95.25 4.86 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.675 0.75 . . . . 0.0 112.25 -173.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.97 106.29 3.31 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.531 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -99.34 161.91 13.35 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -68.89 127.81 34.44 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.94 134.92 33.95 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -80.29 -17.49 51.96 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.412 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -84.16 78.3 9.8 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.419 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -71.83 140.62 49.46 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.69 0.757 . . . . 0.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.31 149.2 26.25 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.344 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.29 -45.95 6.02 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.174 -1.971 . . . . 0.0 108.174 172.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -131.79 138.08 48.4 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.26 107.62 19.25 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.7 120.25 41.79 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -57.14 -39.85 76.0 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 123.499 0.499 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.35 -47.01 80.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.556 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.92 -41.34 91.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.836 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.32 -46.78 85.55 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.38 -61.38 2.53 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.516 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -60.27 -52.11 66.69 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -61.17 -46.4 90.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.372 0.42 . . . . 0.0 110.8 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.76 -36.33 73.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.667 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.419 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 51.0 ttp -64.17 -45.08 89.99 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.157 0.503 . . . . 0.0 110.041 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.12 -52.18 44.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.305 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -83.46 -57.14 3.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -97.95 -0.24 45.2 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.284 -170.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.49 67.46 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.972 1.368 . . . . 0.0 111.556 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -92.97 159.88 15.12 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.369 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -73.89 -41.0 62.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -166.23 166.06 17.1 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.195 -1.366 . . . . 0.0 107.767 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.66 133.71 6.83 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -127.17 174.82 8.62 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 117.388 0.594 . . . . 0.0 110.023 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.1 135.2 46.88 Favored 'General case' 0 N--CA 1.423 -1.799 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 51.5 m -144.48 120.65 10.82 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.0 m170 65.97 16.69 10.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.321 1.049 . . . . 0.0 111.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.32 12.46 65.2 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.766 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -120.02 145.74 46.54 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.86 124.32 25.9 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 36.2 m-85 -120.86 115.52 23.4 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.388 0.613 . . . . 0.0 110.543 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 129.63 34.78 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.689 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 89.8 m-85 -109.63 117.35 33.7 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.493 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 91.2 m-85 -110.29 173.2 6.44 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.358 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -89.43 115.49 26.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.173 0.511 . . . . 0.0 110.363 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.297 -1.688 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.614 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -74.31 78.78 1.84 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.254 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 53.0 t -89.75 89.33 7.73 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.87 130.72 10.32 Favored Glycine 0 N--CA 1.413 -2.854 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.048 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -83.79 134.28 34.73 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.68 154.47 41.35 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 p -61.29 97.7 0.07 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 123.36 0.413 . . . . 0.0 110.599 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -78.27 -39.29 40.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -89.17 119.77 29.96 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-N 113.94 -1.482 . . . . 0.0 107.649 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -82.79 -7.36 59.66 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -102.26 79.4 1.85 Allowed 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.22 86.41 0.16 Allowed Glycine 0 C--N 1.297 -1.59 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -53.72 144.6 17.59 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 124.315 1.046 . . . . 0.0 111.528 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.3 97.7 2.06 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.958 -176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -129.97 168.77 16.16 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -110.49 -63.8 1.35 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.109 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.74 -43.77 83.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -66.24 -34.78 78.78 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -67.84 -41.35 83.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 32' ' ' TYR . 9.1 t30 -58.21 -51.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.628 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -71.03 -27.92 64.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.65 -55.94 25.15 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -64.78 -37.39 87.44 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.249 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.7 tpp -59.46 -40.82 88.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.438 0.695 . . . . 0.0 109.85 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -79.18 -45.17 20.44 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.482 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 23.6 tptm -60.17 -60.5 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.693 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 37.6 mt-10 -128.55 5.71 5.65 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 64.37 75.5 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.259 1.028 . . . . 0.0 108.23 -174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.25 171.16 8.39 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.23 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -80.93 -45.23 17.03 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 15.2 p90 -163.0 150.15 13.0 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.062 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.93 146.96 16.67 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -149.59 150.43 32.2 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.85 137.47 32.74 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -143.27 127.64 17.8 Favored 'General case' 0 N--CA 1.408 -2.543 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 65.79 10.72 7.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.092 0.957 . . . . 0.0 112.273 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.18 10.0 55.02 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.544 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.84 156.49 41.26 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 120.857 0.361 . . . . 0.0 110.759 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.9 113.02 20.66 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.485 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.99 134.86 47.38 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.6 m -101.85 121.82 42.82 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.049 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.64 127.27 51.1 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.403 0.62 . . . . 0.0 110.839 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.474 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 72.1 m-85 -117.77 170.35 8.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -104.96 103.39 12.95 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.486 -0.886 . . . . 0.0 108.643 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 120.787 0.327 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -120.46 109.94 15.89 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.761 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m -100.96 93.32 5.45 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.381 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.0 102.32 1.32 Allowed Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -77.46 138.59 39.33 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -69.48 141.97 53.85 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.924 0.765 . . . . 0.0 109.295 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -60.88 100.62 0.12 Allowed 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.256 1.022 . . . . 0.0 111.084 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.34 -33.35 43.12 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -96.42 85.56 3.95 Favored 'General case' 0 N--CA 1.407 -2.604 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.439 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -93.18 -23.86 18.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.611 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.85 103.34 7.73 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.277 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.63 -178.57 35.68 Favored Glycine 0 N--CA 1.426 -1.979 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -102.75 126.13 49.75 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 118.592 1.196 . . . . 0.0 108.927 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -79.43 127.2 31.81 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.15 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.92 142.08 36.47 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -60.48 -64.72 0.85 Allowed 'General case' 0 C--N 1.316 -0.856 0 O-C-N 123.862 0.726 . . . . 0.0 111.626 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -59.98 -39.54 86.05 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.071 0.232 . . . . 0.0 111.487 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -51.22 -63.66 1.06 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.293 0.995 . . . . 0.0 111.274 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -73.84 -21.24 60.19 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.517 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -64.28 -61.03 2.5 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -67.02 -32.05 73.01 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.342 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -59.03 -64.51 0.92 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 123.847 0.717 . . . . 0.0 109.968 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m -59.08 -36.37 74.98 Favored 'General case' 0 C--O 1.25 1.107 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 49.7 ttm -58.3 -38.81 77.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.475 0.71 . . . . 0.0 111.369 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.81 -41.63 9.12 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.169 0.509 . . . . 0.0 110.086 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.18 -55.2 33.88 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 125.425 1.49 . . . . 0.0 112.859 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -132.56 16.14 4.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.713 0.292 . . . . 0.0 111.44 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.578 ' HA ' ' O ' ' A' ' 25' ' ' MET . 6.1 m-20 55.29 64.65 1.71 Allowed 'General case' 0 CA--C 1.493 -1.244 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.519 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -87.37 156.62 19.52 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.664 175.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.24 -49.4 35.41 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -163.39 145.41 9.76 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.633 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -107.58 153.49 16.8 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 173.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -148.47 164.24 34.77 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 t -106.0 110.4 22.65 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -114.84 107.5 15.5 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.14 25.4 15.21 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 112.292 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.71 8.1 59.66 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.772 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -120.26 134.72 55.2 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.5 m -80.55 101.45 9.16 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.803 0.335 . . . . 0.0 111.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.14 133.23 42.06 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 74.0 m -119.92 123.93 44.77 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 121.16 0.505 . . . . 0.0 109.926 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -93.24 118.22 30.99 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.717 -173.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 95.3 m-85 -109.7 168.42 9.42 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.403 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -70.43 110.24 5.23 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.854 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.067 174.207 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 C--O 1.248 1.01 0 CA-C-O 121.093 0.473 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.07 107.69 18.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.126 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.23 92.14 3.83 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.67 135.02 12.03 Favored Glycine 0 C--N 1.299 -1.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.389 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -93.38 148.13 22.33 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -58.67 152.0 19.66 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 123.818 0.699 . . . . 0.0 110.209 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.5 m -93.85 162.14 14.03 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.28 0.562 . . . . 0.0 112.08 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -112.56 5.49 17.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 171.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -75.89 11.64 1.35 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -72.18 -34.77 68.69 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -104.84 83.26 1.98 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.12 -160.45 28.16 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.649 -2.58 . . . . 0.0 106.649 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 13.5 tppt? -139.96 156.05 46.84 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 118.677 1.239 . . . . 0.0 109.198 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 51.6 t -76.65 122.6 24.9 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 95.4 m-85 -128.11 102.57 6.78 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 174.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 34' ' ' SER . 44.9 t-80 -52.28 -57.16 10.59 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -62.79 -46.86 86.04 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-O 120.558 0.218 . . . . 0.0 110.965 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -58.59 -54.4 47.47 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -65.01 -37.34 87.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.619 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.3 -51.88 67.92 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 120.667 0.27 . . . . 0.0 110.667 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -80.29 -28.26 38.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -59.92 -50.26 74.46 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.53 -46.92 77.7 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.278 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.72 -38.53 85.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.592 0.234 . . . . 0.0 111.327 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -84.29 -64.62 1.13 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.013 0.435 . . . . 0.0 111.748 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -74.12 -40.99 62.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -98.29 -2.84 38.55 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t70 54.32 71.08 0.54 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.246 1.022 . . . . 0.0 110.196 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.08 170.46 8.84 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.725 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -84.01 -49.19 9.17 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -166.36 153.01 9.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -123.65 131.41 8.05 Favored Glycine 0 C--N 1.293 -1.853 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.541 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 10.6 t -124.67 166.6 15.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -97.36 127.64 43.49 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.0 t -130.87 110.79 11.55 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.12 16.3 10.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.966 0.906 . . . . 0.0 111.256 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.89 16.71 35.01 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -127.31 151.37 48.84 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.658 0.266 . . . . 0.0 111.253 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 72.8 m -88.45 99.38 12.24 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.019 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -95.55 114.45 26.21 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.241 0.543 . . . . 0.0 109.693 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 69.7 m -94.53 124.39 38.53 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.977 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.61 130.14 45.14 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.786 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -112.22 175.64 5.35 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.066 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -95.91 104.28 16.21 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.38 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -92.25 128.73 38.2 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.232 0.539 . . . . 0.0 110.196 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.8 m -125.24 114.92 19.6 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 42' ' ' CYS . . . -90.22 137.96 14.25 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 62.2 pttt -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -76.9 122.46 24.88 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -77.34 81.48 3.82 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-O 121.982 0.896 . . . . 0.0 112.714 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -81.04 -28.75 35.25 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 t -77.12 118.33 19.55 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 170.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -75.97 119.51 20.04 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.412 0.625 . . . . 0.0 112.351 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.6 125.12 49.92 Favored 'General case' 0 CA--C 1.489 -1.395 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 172.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.36 -37.59 90.63 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -128.12 174.93 8.82 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 121.893 0.854 . . . . 0.0 110.44 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -140.91 120.19 13.0 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 113.723 -1.58 . . . . 0.0 108.921 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.73 112.46 19.79 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -55.73 -39.47 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.826 0.704 . . . . 0.0 112.876 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.07 -46.96 75.86 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.004 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.38 -48.45 81.22 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.943 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.97 -43.14 86.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.469 0.481 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -61.51 -58.75 6.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.308 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -67.5 -32.15 72.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.42 -62.62 1.32 Allowed 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.363 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 m -63.95 -35.93 82.31 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.407 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 50.6 ttm -61.13 -35.87 78.2 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.694 0.283 . . . . 0.0 110.802 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -88.82 -56.5 3.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.133 0.492 . . . . 0.0 110.217 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.85 -45.44 92.58 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.63 13.22 13.32 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.817 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 51.71 67.75 0.91 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 122.324 1.059 . . . . 0.0 110.013 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -104.45 167.59 9.64 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.854 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -79.91 -43.39 22.29 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -169.25 161.35 10.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.949 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 139.11 12.51 Favored Glycine 0 C--N 1.294 -1.769 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -145.04 173.67 11.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 117.715 0.757 . . . . 0.0 109.458 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.2 m -102.1 133.14 47.42 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.186 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 41' ' ' TYR . 42.8 t -147.99 128.73 14.25 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 m80 69.53 2.4 3.74 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.069 0.948 . . . . 0.0 111.637 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.07 5.26 62.54 Favored Glycine 0 C--O 1.239 0.458 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.82 157.98 17.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 C-N-CA 123.5 0.72 . . . . 0.0 110.274 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -94.1 111.11 22.8 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.496 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 56.9 m-85 -109.45 127.36 54.35 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' HE2' ' A' ' 6' ' ' LYS . 61.4 m -105.53 122.46 46.05 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.5 129.37 43.88 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -124.61 -179.43 4.5 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -89.61 136.7 32.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.317 -0.816 0 C-N-CA 123.384 0.674 . . . . 0.0 110.996 -179.681 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 N--CA 1.434 -1.273 0 CA-C-O 121.276 0.56 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.54 134.72 22.82 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.301 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.54 137.64 52.02 Favored 'General case' 0 C--N 1.278 -2.521 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.948 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.05 133.98 11.59 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.484 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -116.92 135.0 54.05 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -89.77 136.46 33.02 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 m -71.05 149.94 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.436 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -64.91 -48.7 73.21 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m 63.0 85.64 0.13 Allowed 'General case' 0 C--O 1.251 1.138 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.867 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -76.76 -46.32 25.66 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.933 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -172.7 91.9 0.11 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.425 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.93 156.94 27.0 Favored Glycine 0 N--CA 1.423 -2.183 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -104.78 137.43 42.59 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.9 t -82.84 117.51 22.77 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.429 0.633 . . . . 0.0 112.229 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.68 145.06 44.31 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -58.84 -47.74 83.76 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -65.36 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.838 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -63.82 -52.83 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.004 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.01 -40.37 95.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.891 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -69.38 -53.15 20.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.091 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 85.0 m-70 -65.4 -29.06 69.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 52.6 t-105 -71.48 -65.14 0.79 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.6 m -65.96 -33.85 76.77 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -171.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttt -83.59 -33.85 25.27 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 119.601 1.092 . . . . 0.0 109.424 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 34.5 mt-10 -88.54 -30.58 19.21 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.428 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' TRP . 19.1 tptm -98.58 -50.94 4.09 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -91.62 -7.11 50.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.405 0.621 . . . . 0.0 109.62 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.3 t70 58.72 33.56 23.16 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.137 1.375 . . . . 0.0 109.683 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.8 163.72 25.19 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.582 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.47 -46.19 84.12 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -171.41 167.87 6.68 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.469 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.23 141.7 13.01 Favored Glycine 0 N--CA 1.436 -1.364 0 N-CA-C 109.746 -1.341 . . . . 0.0 109.746 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.8 m -141.67 168.7 19.13 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 117.368 0.584 . . . . 0.0 110.43 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.78 131.91 54.5 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -132.86 110.76 10.54 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 67.92 19.25 9.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.816 0.846 . . . . 0.0 111.267 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.32 4.68 73.65 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.766 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -110.01 141.14 43.24 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.29 119.31 26.43 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.461 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -119.06 124.81 47.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.8 m -109.12 131.6 54.91 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.79 128.43 49.55 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.17 0.509 . . . . 0.0 111.769 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -115.92 154.93 28.88 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -72.84 107.75 5.42 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 126.616 1.966 . . . . 0.0 114.273 -176.507 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 87.4 tttt . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -72.64 128.22 34.92 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.574 0.546 . . . . 0.0 109.777 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 67.0 m -128.68 116.28 19.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.551 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.0 109.58 3.38 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -80.41 151.11 29.52 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -62.25 152.84 32.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.614 0.721 . . . . 0.0 110.95 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -80.3 72.47 7.15 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.518 -174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -92.23 -0.47 57.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.429 1.109 . . . . 0.0 109.065 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -105.84 36.07 2.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 172.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -44.68 139.39 2.94 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 127.152 2.181 . . . . 0.0 113.998 -172.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.96 129.56 25.97 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.34 -62.11 4.97 Favored Glycine 0 CA--C 1.499 -0.924 0 O-C-N 123.945 0.778 . . . . 0.0 113.451 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -92.13 133.44 35.76 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.56 91.13 7.36 Favored 'General case' 0 C--N 1.276 -2.63 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 99.1 m-85 -77.52 115.22 17.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.68 -72.41 0.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.039 0.837 . . . . 0.0 112.541 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 60.4 tttm -68.26 -35.67 78.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.162 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 16' ' ' PHE . 59.5 tptt -64.47 -50.01 69.16 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -73.1 -29.68 63.1 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.609 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -55.11 -55.85 26.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.869 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 52.5 m-70 -70.87 -28.98 64.97 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.444 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -59.31 -60.29 4.09 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.68 -41.34 88.26 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -57.87 -43.56 86.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -57.62 2.83 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -72.57 -41.39 65.77 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -95.77 -4.38 44.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -172.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.06 22.93 5.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.346 1.069 . . . . 0.0 110.102 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -78.79 162.9 25.78 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.246 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.34 -38.8 15.89 Favored 'General case' 0 C--N 1.283 -2.301 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.233 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -161.61 150.19 15.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.608 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.16 132.73 10.84 Favored Glycine 0 C--N 1.296 -1.642 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 t -136.46 144.51 44.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 117.59 0.695 . . . . 0.0 109.981 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.93 128.01 33.26 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.394 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 21.0 t -144.13 121.49 11.63 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.3 m80 67.67 13.59 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.356 1.062 . . . . 0.0 111.588 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.58 -9.43 62.45 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -102.88 158.09 16.51 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 120.622 0.248 . . . . 0.0 110.641 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 34.0 m-85 -95.34 116.85 29.33 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.4 m -94.16 118.12 31.09 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 30.8 m-85 -91.74 127.75 37.31 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.545 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -120.92 179.14 4.46 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 6.4 p80 -104.61 137.11 42.94 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.941 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.295 -1.784 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.343 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 60.1 pttt . . . . . 0 N--CA 1.436 -1.159 0 CA-C-O 121.951 0.881 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -105.65 92.62 4.26 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.712 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -96.96 111.74 23.81 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.363 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.39 156.31 22.63 Favored Glycine 0 N--CA 1.433 -1.56 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.105 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -61.73 139.0 58.37 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.596 1.158 . . . . 0.0 110.808 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -72.52 101.43 2.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 168.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.456 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 t -86.92 109.72 19.53 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 122.234 1.016 . . . . 0.0 112.389 -168.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -98.15 -32.57 11.53 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.25 -1.341 . . . . 0.0 107.687 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -95.31 104.56 16.45 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.421 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CZ2' ' HB3' ' A' ' 8' ' ' SER . 3.4 m-90 -128.66 99.73 5.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -134.33 105.64 6.71 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.17 -166.68 12.21 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -92.74 151.62 19.95 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.8 t -86.66 114.18 23.15 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.465 0.65 . . . . 0.0 110.937 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.99 113.99 23.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -48.25 -53.6 16.56 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.54 -38.69 77.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.78 -32.87 70.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.8 -42.45 95.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.264 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.26 -48.84 73.42 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.788 0.328 . . . . 0.0 111.33 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -73.0 -33.3 65.69 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.235 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -63.6 -48.33 77.78 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.88 -43.99 97.72 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.186 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.15 -47.74 83.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 0.0 110.352 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.2 -51.69 29.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.79 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.97 -40.96 10.83 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -170.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -103.94 -15.3 15.68 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -169.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.93 82.82 0.16 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.067 0.854 . . . . 0.0 109.23 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.44 6.26 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.865 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -82.72 -48.73 10.53 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -157.6 151.84 24.7 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.0 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.21 149.48 18.74 Favored Glycine 0 CA--C 1.479 -2.206 0 N-CA-C 107.502 -2.239 . . . . 0.0 107.502 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 m -150.92 174.23 13.35 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 117.268 0.534 . . . . 0.0 110.47 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.1 t -111.42 112.39 24.1 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -110.64 105.56 14.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.708 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 68.21 17.21 9.37 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.484 1.113 . . . . 0.0 111.459 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 5.12 58.23 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.58 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -114.13 136.03 53.38 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -74.29 129.74 38.37 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.487 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -138.68 143.66 39.27 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.327 0.584 . . . . 0.0 112.402 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.94 137.48 45.87 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -113.89 133.53 55.38 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.278 0.561 . . . . 0.0 111.563 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -123.51 -171.69 2.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.658 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.53 145.19 29.89 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.989 172.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 35.5 m . . . . . 0 C--N 1.284 -2.248 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.927 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -111.38 104.35 12.8 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.497 0.665 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -110.22 105.65 14.79 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -93.31 96.44 9.97 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.02 126.54 8.12 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.402 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . 24.4 tptm -65.71 142.96 57.83 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 124.432 1.093 . . . . 0.0 109.393 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -72.98 111.88 8.5 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 m -74.68 83.47 2.09 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-O 121.645 0.736 . . . . 0.0 112.846 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 8.5 23.0 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.001 171.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -88.54 103.92 16.34 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -77.36 138.8 39.53 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 121.393 0.616 . . . . 0.0 110.415 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -141.59 150.99 42.76 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.79 -74.06 0.51 Allowed Glycine 0 C--N 1.315 -0.609 0 O-C-N 123.524 0.515 . . . . 0.0 113.405 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -113.38 138.63 49.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -90.29 129.13 36.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 120.916 0.389 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -137.02 129.1 29.43 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -50.74 -54.09 26.19 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.505 0.722 . . . . 0.0 112.394 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 64.5 tttm -61.02 -46.86 89.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.948 0.404 . . . . 0.0 111.033 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -71.12 -30.32 66.36 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.679 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.3 t -65.95 -44.51 84.8 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -58.5 -52.52 65.3 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.542 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 27.9 m-70 -57.14 -51.86 67.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.812 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.73 -55.53 33.93 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.514 0.509 . . . . 0.0 111.054 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -56.16 -42.2 76.64 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 54.4 ttm -61.27 -48.43 81.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.297 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -71.52 -39.42 70.76 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.054 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 28.6 tptp -66.52 -56.34 11.28 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 124.775 1.23 . . . . 0.0 113.3 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 24.4 mt-10 -139.4 25.66 2.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 54.83 59.32 4.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.697 1.237 . . . . 0.0 109.659 -178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.84 147.89 24.16 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' N ' ' HE2' ' A' ' 31' ' ' LYS . 9.9 mmpt? -70.41 -41.03 73.51 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 121.943 0.878 . . . . 0.0 109.118 -176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB2' ' A' ' 31' ' ' LYS . 25.5 p90 -160.41 167.92 26.29 Favored 'General case' 0 N--CA 1.412 -2.338 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.462 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.36 140.64 11.92 Favored Glycine 0 N--CA 1.424 -2.139 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.0 t -130.87 147.13 52.49 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -96.01 118.91 33.55 Favored 'General case' 0 N--CA 1.416 -2.136 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 23.3 t -136.66 127.15 26.8 Favored 'General case' 0 C--N 1.281 -2.377 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 68.07 15.21 9.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.422 1.089 . . . . 0.0 110.337 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.08 17.36 74.64 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.589 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -118.89 150.26 40.17 Favored 'General case' 0 CA--C 1.494 -1.194 0 CA-C-O 121.161 0.505 . . . . 0.0 110.404 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.0 t -85.09 109.99 18.64 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.756 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 39.4 m-85 -103.08 121.15 42.01 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.216 178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -89.79 131.72 35.59 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -111.54 126.77 55.34 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.567 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 6' ' ' LYS . 39.6 m-85 -107.7 179.5 4.21 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.464 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -126.33 109.59 12.42 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 C--N 1.298 -1.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.855 -178.572 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -142.06 120.05 12.05 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.299 0.571 . . . . 0.0 111.044 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -85.83 143.35 28.32 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.7 m -120.64 112.82 19.37 Favored 'General case' 0 C--N 1.28 -2.428 0 CA-C-N 114.86 -1.064 . . . . 0.0 108.841 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.31 117.31 4.5 Favored Glycine 0 N--CA 1.423 -2.228 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -74.94 120.0 19.87 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 72.2 m80 -61.79 142.77 57.09 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.764 -172.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 t -71.22 147.83 47.86 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.942 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.04 -10.16 57.22 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m 71.14 175.58 0.29 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.84 1.256 . . . . 0.0 109.614 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.3 m95 66.54 20.81 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.344 0.658 . . . . 0.0 112.598 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.34 132.84 47.77 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -46.94 58.79 Favored Glycine 0 CA--C 1.503 -0.667 0 O-C-N 124.024 0.827 . . . . 0.0 112.267 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -150.61 135.71 17.69 Favored 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 172.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -82.11 88.98 6.43 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -77.58 150.32 34.73 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.855 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.22 -74.18 0.5 Allowed 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -71.26 -41.64 69.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -62.91 -44.53 95.84 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.249 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.6 -33.66 66.87 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -58.21 -53.13 61.77 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.197 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -68.71 -31.81 71.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.916 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -60.46 -60.55 3.63 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.1 m -58.85 -42.02 88.38 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 53.1 ttp -61.0 -28.55 69.11 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 122.873 0.469 . . . . 0.0 112.241 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -103.62 -45.15 4.9 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.757 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -68.09 -45.42 73.8 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -113.7 0.84 14.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.983 0.421 . . . . 0.0 110.623 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' MET . 18.4 m-20 61.98 48.59 5.1 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.078 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.63 164.83 24.31 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.382 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -85.31 -43.66 13.52 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.52 149.03 20.11 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -112.56 138.51 15.03 Favored Glycine 0 N--CA 1.435 -1.391 0 N-CA-C 108.806 -1.718 . . . . 0.0 108.806 175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -133.28 152.42 51.93 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 117.38 0.59 . . . . 0.0 110.559 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.3 t -96.51 113.57 25.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 18.8 m -118.59 107.88 14.27 Favored 'General case' 0 N--CA 1.409 -2.498 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.723 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 65.95 18.19 11.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.125 0.97 . . . . 0.0 112.09 173.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 5.78 54.33 Favored Glycine 0 C--O 1.243 0.688 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.295 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.47 136.21 54.84 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 123.199 0.6 . . . . 0.0 109.866 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.48 120.53 27.91 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.277 0.561 . . . . 0.0 110.393 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 7' ' ' HIS . 41.9 m-85 -113.01 124.23 52.15 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.117 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 60.9 m -106.42 128.38 54.01 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.036 0.446 . . . . 0.0 110.57 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -100.46 130.53 46.55 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.791 -172.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -122.03 174.55 6.85 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.28 128.44 53.98 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 175.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.6 m . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.798 173.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.792 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -130.22 102.26 6.14 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.91 138.32 31.64 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.042 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.2 m -126.93 118.98 25.64 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.17 -171.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.0 117.24 4.37 Favored Glycine 0 N--CA 1.433 -1.528 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HD2' ' CD2' ' A' ' 44' ' ' TYR . 67.7 mttm -108.36 170.4 8.04 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 120.82 0.343 . . . . 0.0 110.379 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -72.48 132.42 43.83 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -75.92 157.6 33.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 120.705 0.288 . . . . 0.0 110.388 -177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -119.45 -13.45 9.23 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.593 0.711 . . . . 0.0 110.07 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -136.55 121.36 18.63 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -119.07 144.76 46.4 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -85.63 159.63 19.8 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -24.41 64.97 Favored Glycine 0 N--CA 1.468 0.829 0 CA-C-O 121.313 0.396 . . . . 0.0 113.633 -177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 87.1 tttt -144.43 156.57 44.26 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.785 -1.931 . . . . 0.0 105.785 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 t -81.48 81.46 7.59 Favored 'General case' 0 N--CA 1.413 -2.282 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.625 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 96.7 m-85 -83.09 101.77 11.38 Favored 'General case' 0 N--CA 1.415 -2.199 0 N-CA-C 104.675 -2.343 . . . . 0.0 104.675 169.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -54.52 -50.73 67.15 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -171.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -71.78 -38.52 70.29 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -71.29 -49.62 40.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.905 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.23 -26.72 64.94 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.65 -59.35 4.83 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.676 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -72.71 -28.91 62.95 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.179 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -58.82 -57.28 13.73 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.5 t -70.53 -29.52 66.02 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 27.6 ttt -62.35 -37.71 86.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -85.9 -42.46 14.07 Favored 'General case' 0 N--CA 1.436 -1.162 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.767 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -56.69 -59.47 4.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 124.339 1.056 . . . . 0.0 111.303 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -120.38 13.07 11.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -171.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' MET . 26.5 t70 59.69 35.14 22.26 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.62 1.2 . . . . 0.0 109.893 -177.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.96 142.01 58.58 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -68.97 -42.29 76.8 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -165.35 133.94 3.26 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.126 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.56 135.05 12.06 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -138.37 156.26 47.77 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 122.334 -0.509 . . . . 0.0 110.649 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.47 119.71 24.55 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.651 0.739 . . . . 0.0 110.804 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 45.0 m -133.65 117.71 17.32 Favored 'General case' 0 N--CA 1.409 -2.496 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 m170 72.98 5.42 5.18 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 125.073 1.349 . . . . 0.0 110.754 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.91 60.68 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -101.5 156.23 17.59 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.04 116.76 28.32 Favored 'General case' 0 C--N 1.278 -2.5 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 39.9 m-85 -111.81 134.15 53.56 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.202 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.12 119.5 31.3 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.787 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -98.79 126.66 44.49 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.475 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 85.0 m-85 -114.94 -170.96 1.85 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -120.19 134.03 55.35 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.261 1.688 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.773 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.96 108.72 19.72 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-O 121.298 0.57 . . . . 0.0 110.837 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' CD2' ' HE2' ' A' ' 32' ' ' TYR . 34.8 m80 -123.44 145.05 49.11 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.418 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 19.7 t -139.32 121.83 16.2 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 124.521 1.128 . . . . 0.0 109.258 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.19 112.13 4.23 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.689 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -106.78 152.16 24.22 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -70.64 126.25 29.09 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 p -70.56 116.2 10.62 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.352 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -78.53 -14.1 59.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.003 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.8 t -78.62 140.42 38.44 Favored 'General case' 0 N--CA 1.426 -1.626 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -80.65 79.06 7.35 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.969 0.89 . . . . 0.0 110.909 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.46 78.26 1.25 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.984 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.79 45.61 Favored Glycine 0 N--CA 1.427 -1.943 0 CA-C-N 114.152 -1.385 . . . . 0.0 112.234 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.95 115.77 21.94 Favored 'General case' 0 N--CA 1.421 -1.899 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -83.55 98.11 9.4 Favored 'General case' 0 C--N 1.27 -2.856 0 CA-C-N 114.184 -1.371 . . . . 0.0 113.601 -168.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -146.8 109.41 4.58 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 173.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -48.59 -50.23 33.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.277 0.631 . . . . 0.0 111.907 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -58.08 -44.25 87.47 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.996 0.519 . . . . 0.0 111.137 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -68.51 -53.75 21.23 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.537 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 58.8 m -62.64 -37.31 85.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.218 -174.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' HA ' ' H ' ' A' ' 33' ' ' GLY . 42.5 t30 -57.65 -59.21 5.55 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.925 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -71.24 -27.5 63.51 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.193 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.35 -61.62 2.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.351 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.25 -31.57 71.14 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.227 -174.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 50.3 ttm -60.95 -38.24 85.18 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.887 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -91.53 -35.24 14.41 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.22 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -72.65 -60.54 2.18 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -115.89 15.19 16.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' ' 25' ' ' MET . 7.1 m-20 52.65 58.88 4.91 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.694 -1.139 . . . . 0.0 113.189 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.09 164.43 15.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.038 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -73.06 -38.64 66.38 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.476 ' HE2' ' CD2' ' A' ' 3' ' ' HIS . 54.9 p90 -166.81 163.7 16.4 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.134 174.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' H ' ' HA ' ' A' ' 21' ' ' ASN . . . -123.49 138.93 11.82 Favored Glycine 0 N--CA 1.428 -1.892 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -142.6 152.84 42.94 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 117.64 0.72 . . . . 0.0 111.082 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -83.09 120.65 26.03 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.956 0.884 . . . . 0.0 112.11 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -122.08 113.91 20.18 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-N 114.478 -1.237 . . . . 0.0 107.674 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 63.56 17.86 10.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.872 0.869 . . . . 0.0 113.208 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.81 15.36 39.95 Favored Glycine 0 C--O 1.219 -0.833 0 C-N-CA 119.695 -1.241 . . . . 0.0 112.792 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.13 153.69 51.66 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 20' ' ' CYS . 74.5 m -104.02 117.67 34.85 Favored 'General case' 0 C--N 1.274 -2.711 0 C-N-CA 118.898 -1.121 . . . . 0.0 111.609 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -93.23 151.88 19.54 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.782 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.1 m -100.24 124.45 45.71 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.688 -177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 50.7 m-85 -103.49 119.54 39.09 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-O 121.49 0.662 . . . . 0.0 110.694 -178.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -124.99 -157.44 0.78 Allowed 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -112.96 138.68 49.46 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.301 -1.507 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.016 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -104.67 140.61 37.79 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 121.157 0.503 . . . . 0.0 109.788 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -94.19 126.78 39.63 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.95 107.18 18.6 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.823 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.54 134.24 12.43 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.157 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -75.38 116.95 16.65 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.489 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 53.7 m80 -75.99 149.96 37.51 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.234 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.9 t -81.18 83.47 6.8 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.474 0.654 . . . . 0.0 109.806 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -103.0 -60.05 1.61 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.235 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -113.87 15.21 18.63 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.177 0.513 . . . . 0.0 111.347 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m-90 -118.05 94.82 4.65 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.098 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -114.2 155.27 26.41 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.062 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.73 -162.88 28.56 Favored Glycine 0 N--CA 1.424 -2.15 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 16' ' ' PHE . 86.8 tttt -86.23 142.38 28.63 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 21.1 t -81.86 95.99 7.49 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 121.788 0.804 . . . . 0.0 110.17 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 91.6 m-85 -95.6 107.61 19.81 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 175.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -51.51 -57.49 8.9 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.303 0.641 . . . . 0.0 112.612 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.94 -40.1 63.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.918 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -67.69 -42.33 82.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.524 -0.47 . . . . 0.0 112.034 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 96.4 m -68.87 -37.24 78.93 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -55.89 -54.43 44.72 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.463 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -71.56 -32.02 67.63 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -58.03 -52.93 63.5 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.2 m -69.41 -44.25 71.77 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.017 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 28.2 ttt -61.02 -45.36 95.11 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.858 0.463 . . . . 0.0 111.511 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.0 -56.91 4.03 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.21 -37.73 32.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -103.4 -2.49 26.89 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 119.663 -0.815 . . . . 0.0 110.541 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' MET . 28.2 t70 52.92 55.67 8.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 123.129 1.442 . . . . 0.0 110.71 -174.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.9 18.93 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.349 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HE2' ' HB3' ' A' ' 45' ' ' HIS . 65.2 mttm -74.29 -56.19 5.17 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -151.19 138.36 19.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.97 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -106.2 116.65 5.18 Favored Glycine 0 N--CA 1.428 -1.897 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 m -113.1 172.02 7.19 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 t -107.29 124.18 49.41 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.5 m -112.73 98.03 6.95 Favored 'General case' 0 C--N 1.284 -2.265 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.421 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 53.9 35.68 22.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.127 0.971 . . . . 0.0 112.966 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . . . 102.66 -2.32 49.19 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.239 -0.982 . . . . 0.0 113.851 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -118.77 141.49 48.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 117.414 0.607 . . . . 0.0 110.621 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 84.1 m -80.86 112.03 17.87 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.996 0.427 . . . . 0.0 110.75 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.489 ' CE2' ' HA ' ' A' ' 7' ' ' HIS . 9.5 m-85 -107.08 113.11 26.37 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.614 0.721 . . . . 0.0 111.067 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 55.6 m -99.12 115.94 30.19 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.785 -177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -93.75 126.1 38.74 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.082 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -115.06 175.64 5.41 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 4.4 p80 -91.63 133.28 35.7 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.359 -0.936 . . . . 0.0 108.775 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.6 m . . . . . 0 C--N 1.293 -1.848 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.025 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -95.98 152.44 18.51 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -68.86 126.88 31.15 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 121.757 0.789 . . . . 0.0 109.281 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.35 105.57 16.2 Favored 'General case' 0 C--N 1.26 -3.288 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.13 127.32 8.5 Favored Glycine 0 N--CA 1.427 -1.921 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.659 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -112.67 128.55 56.42 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.27 118.81 15.61 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 40' ' ' CYS . 46.6 t -110.23 165.8 11.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.602 0.715 . . . . 0.0 111.683 -174.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.91 -13.13 51.79 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 73.2 174.74 0.28 Allowed 'General case' 0 C--O 1.248 1.019 0 C-N-CA 124.844 1.258 . . . . 0.0 112.156 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -95.26 121.18 36.65 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.75 113.19 5.31 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.327 0.584 . . . . 0.0 110.201 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.58 -152.62 23.99 Favored Glycine 0 N--CA 1.422 -2.258 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -93.56 134.31 35.96 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.2 t -89.29 129.32 35.86 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.279 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -132.94 141.46 48.35 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.71 -54.08 50.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -64.58 -41.68 96.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.176 0.512 . . . . 0.0 110.839 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -66.87 -34.81 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 t -65.1 -41.01 95.34 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -55.85 -53.8 52.39 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.137 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.99 -38.26 90.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.43 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -59.51 -60.03 4.51 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 123.427 0.454 . . . . 0.0 110.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.69 -40.39 79.35 Favored 'General case' 0 C--O 1.247 0.922 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.494 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 27.2 ttt -67.65 -43.74 79.55 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.898 -178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.46 -36.27 39.05 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.343 0.592 . . . . 0.0 111.021 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.91 -52.15 10.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -124.52 12.37 8.67 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.636 -0.826 . . . . 0.0 111.996 -172.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' MET . 33.0 t70 51.78 73.46 0.32 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 122.597 1.189 . . . . 0.0 111.37 -171.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -103.26 168.42 9.19 Favored 'General case' 0 C--N 1.274 -2.677 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 45' ' ' HIS . 27.8 mtpp -82.27 -35.03 28.47 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 121.554 0.693 . . . . 0.0 109.142 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -166.29 177.61 6.74 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.487 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.4 155.71 23.1 Favored Glycine 0 N--CA 1.417 -2.568 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -142.15 142.75 32.76 Favored 'General case' 0 C--N 1.28 -2.426 0 CA-C-N 117.579 0.689 . . . . 0.0 109.696 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.53 118.18 26.83 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.46 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 37.9 t -116.86 109.02 16.55 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 65.97 13.87 9.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.866 0.866 . . . . 0.0 111.639 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 6.06 40.79 Favored Glycine 0 N--CA 1.434 -1.444 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.034 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -124.29 152.8 42.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.476 0.638 . . . . 0.0 110.374 178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.1 m -79.9 127.26 32.03 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 20.6 m-85 -124.43 127.01 46.88 Favored 'General case' 0 N--CA 1.431 -1.384 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 173.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -96.5 137.01 36.21 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.68 129.69 56.57 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.657 0.741 . . . . 0.0 111.785 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -116.98 -175.46 2.78 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 31' ' ' LYS . 42.7 p-80 -100.55 134.19 43.88 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 m . . . . . 0 C--N 1.304 -1.382 0 C-N-CA 123.516 0.726 . . . . 0.0 109.064 174.04 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.039 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 98.0 mttt -77.92 99.63 6.08 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 -177.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -75.28 117.01 16.63 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.1 m -119.91 111.77 18.36 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.007 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.05 102.57 2.51 Favored Glycine 0 CA--C 1.487 -1.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.702 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.56 132.04 35.29 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 120.975 0.417 . . . . 0.0 110.379 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -78.35 103.54 8.36 Favored 'General case' 0 N--CA 1.423 -1.782 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 170.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.8 m -62.06 168.18 3.44 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -53.19 -17.84 1.93 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t 73.45 94.21 0.08 Allowed 'General case' 0 C--O 1.241 0.658 0 CA-C-O 122.483 1.135 . . . . 0.0 112.002 173.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -113.6 101.29 9.19 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.71 74.25 4.3 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.149 -1.02 . . . . 0.0 113.718 -170.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.93 -77.53 1.17 Allowed Glycine 0 N--CA 1.423 -2.193 0 N-CA-C 105.306 -3.117 . . . . 0.0 105.306 168.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -147.16 133.92 20.04 Favored 'General case' 0 N--CA 1.411 -2.418 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -83.68 105.25 14.44 Favored 'General case' 0 C--N 1.279 -2.465 0 CA-C-O 120.987 0.423 . . . . 0.0 109.977 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 79.6 m-85 -104.33 113.15 26.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.2 p80 -63.28 -39.49 94.74 Favored 'General case' 0 C--O 1.209 -1.054 0 O-C-N 122.949 0.156 . . . . 0.0 111.172 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -66.49 -51.3 58.2 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 122.815 0.446 . . . . 0.0 110.415 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 55.4 tttp -60.39 -53.72 54.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.716 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.85 -32.12 73.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.138 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -59.56 -50.37 74.17 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 110.596 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -76.13 -29.09 57.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.92 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -59.75 -56.95 15.44 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.64 -44.79 92.83 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.4 ttm -56.16 -47.71 77.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.549 0.34 . . . . 0.0 111.595 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -83.18 -61.47 1.84 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.015 0.436 . . . . 0.0 111.095 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -68.97 -45.13 71.45 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -173.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -96.21 -5.53 40.22 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.98 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.3 t70 53.68 77.54 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.907 1.283 . . . . 0.0 110.191 -173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.04 173.69 8.53 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.402 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -83.74 -61.71 1.76 Allowed 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.673 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -151.88 151.89 31.87 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.386 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.49 137.37 13.79 Favored Glycine 0 N--CA 1.428 -1.877 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.3 m -132.33 149.45 52.36 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 t -96.4 132.01 42.37 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -128.09 103.44 7.22 Favored 'General case' 0 N--CA 1.415 -2.186 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 66.01 4.16 2.92 Favored 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 124.552 1.141 . . . . 0.0 112.768 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.28 1.61 11.15 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.491 -0.862 . . . . 0.0 113.126 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -118.84 146.07 45.16 Favored 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.1 t -95.86 128.39 42.7 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 121.233 0.539 . . . . 0.0 110.276 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -111.69 124.18 51.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.616 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.2 m -106.14 120.85 42.88 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.502 0.668 . . . . 0.0 109.682 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.03 127.94 37.68 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.553 -174.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -121.8 177.08 5.42 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 26.0 p80 -103.48 138.71 39.82 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 C--N 1.278 -2.51 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.263 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.468 ' HA ' ' NE2' ' A' ' 45' ' ' HIS . . . . . . . . 0 C--O 1.24 0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -128.22 106.44 9.04 Favored 'General case' 0 C--N 1.295 -1.764 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.513 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -79.11 136.96 37.29 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.292 0.567 . . . . 0.0 109.656 173.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.6 m -119.71 104.4 10.21 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.374 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.56 130.47 9.77 Favored Glycine 0 N--CA 1.427 -1.914 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.468 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -70.71 122.77 20.45 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -79.69 133.69 36.38 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -72.04 101.44 2.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.988 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -78.16 -24.74 47.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 172.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -83.6 89.3 7.09 Favored 'General case' 0 N--CA 1.412 -2.373 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -69.73 -44.31 70.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.878 -177.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -81.45 104.51 11.94 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.49 128.51 1.32 Allowed Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.073 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -77.56 127.4 32.43 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.42 121.82 29.51 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 121.454 0.645 . . . . 0.0 111.257 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 90.7 m-85 -115.55 126.59 54.43 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 35' ' ' CYS . 20.2 m-70 -60.75 -61.0 2.9 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -174.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 65.2 tttp -62.36 -43.26 99.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -63.74 -42.5 97.86 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.622 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.82 -46.77 78.0 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.0 -58.76 7.17 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.764 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 73.6 m-70 -65.81 -35.66 81.32 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -69.71 -55.84 8.86 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 31.2 m -64.06 -43.46 95.44 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.551 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 26.4 ttt -59.94 -33.13 71.49 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.112 0.482 . . . . 0.0 111.328 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.86 -63.77 1.16 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.057 0.456 . . . . 0.0 111.056 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -73.04 -38.56 66.47 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.832 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -92.76 -4.36 53.22 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.664 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 65.57 20.32 11.62 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 122.56 1.172 . . . . 0.0 110.273 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -73.96 162.43 29.06 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.424 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' A' ' 45' ' ' HIS . 26.7 mtpp -79.81 -46.75 16.36 Favored 'General case' 0 C--N 1.282 -2.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -155.71 153.92 30.7 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.497 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.58 141.09 13.81 Favored Glycine 0 CA--C 1.487 -1.676 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 p -143.45 142.72 31.3 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 13.2 t -88.69 109.11 19.86 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -110.95 116.88 31.97 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.3 m80 68.73 7.23 5.99 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.509 1.124 . . . . 0.0 111.564 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 13.86 43.85 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.177 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.06 148.11 43.38 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.7 t -87.74 102.43 14.64 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.149 0.5 . . . . 0.0 110.752 -176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -100.71 111.99 24.32 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 122.034 0.921 . . . . 0.0 111.345 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.0 m -100.72 114.43 28.17 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.294 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -95.71 129.13 43.02 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -172.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.44 -175.72 2.85 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.476 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 4.4 t60 -129.23 125.94 38.01 Favored 'General case' 0 C--N 1.285 -2.203 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 176.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.295 -1.775 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.263 177.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -79.34 143.84 34.76 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -101.65 142.87 32.34 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 41.7 t -116.99 92.44 3.86 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.79 113.61 3.95 Favored Glycine 0 C--N 1.289 -2.036 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.337 -174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -96.5 125.85 41.28 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -87.83 100.52 12.93 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -70.41 126.81 30.69 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -81.87 0.11 41.12 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.358 0.599 . . . . 0.0 111.021 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -121.53 122.32 39.42 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -91.05 174.81 7.21 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -77.27 -21.29 53.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.414 1.102 . . . . 0.0 110.484 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -35.95 1.4 Allowed Glycine 0 C--N 1.279 -2.596 0 N-CA-C 108.415 -1.874 . . . . 0.0 108.415 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -150.2 158.73 44.47 Favored 'General case' 0 N--CA 1.419 -1.988 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -88.16 122.6 31.9 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.073 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 62.7 m-85 -140.1 138.43 35.29 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 174.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -57.96 -64.53 0.88 Allowed 'General case' 0 C--N 1.316 -0.871 0 O-C-N 124.024 0.828 . . . . 0.0 112.008 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 94.6 mttt -74.33 -26.23 60.03 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 16' ' ' PHE . 3.9 tppp? -62.94 -52.93 61.14 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -72.26 -22.97 61.14 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.111 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.62 -61.53 2.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 74.7 m-70 -67.35 -36.0 80.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.757 -177.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -58.69 -53.86 53.63 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.979 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.9 m -69.62 -37.33 76.8 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -66.03 -43.26 88.12 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.878 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -80.25 -48.88 12.39 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -88.82 -37.68 15.2 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.759 -0.777 . . . . 0.0 112.721 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -98.71 -2.39 38.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t70 68.96 15.15 8.88 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.085 0.945 . . . . 0.0 111.455 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -70.35 163.88 25.69 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.551 -0.718 . . . . 0.0 109.858 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.56 -43.76 11.15 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -157.9 136.77 11.45 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.089 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.78 159.69 13.83 Favored Glycine 0 C--N 1.29 -1.992 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -154.87 174.78 14.63 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.9 t -105.79 128.68 53.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -136.33 113.18 10.3 Favored 'General case' 0 N--CA 1.412 -2.342 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 63.74 17.91 10.78 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.381 1.073 . . . . 0.0 111.842 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.86 7.35 53.22 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.226 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -124.54 145.94 49.29 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 117.176 0.488 . . . . 0.0 110.401 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.8 m -87.23 115.93 24.97 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.94 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.78 126.88 52.69 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.898 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.9 m -114.52 116.48 28.88 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 75.7 m-85 -96.09 132.23 41.69 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.879 0.847 . . . . 0.0 112.513 -172.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -114.86 -169.53 1.57 Allowed 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -124.97 114.69 19.46 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.4 m . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -177.035 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 45' ' ' HIS . 25.8 tptp -73.19 105.94 4.83 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -77.16 128.73 34.91 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.464 0.65 . . . . 0.0 110.822 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -120.69 119.17 32.04 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.79 127.61 9.2 Favored Glycine 0 N--CA 1.431 -1.686 0 C-N-CA 119.76 -1.21 . . . . 0.0 114.023 -171.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -76.75 130.99 38.47 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -80.51 150.37 29.67 Favored 'General case' 0 C--N 1.283 -2.318 0 O-C-N 123.738 0.649 . . . . 0.0 110.084 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 m -140.55 111.41 6.98 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.72 -32.86 68.22 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.267 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 p -161.46 98.26 1.12 Allowed 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 40' ' ' CYS . 74.5 t-105 -105.99 -45.64 4.3 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -175.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -156.58 143.75 18.89 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.64 70.24 Favored Glycine 0 N--CA 1.445 -0.755 0 O-C-N 123.862 0.726 . . . . 0.0 112.31 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -124.04 134.98 53.29 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.6 t -102.62 134.38 46.07 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -135.6 129.54 33.05 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -66.85 -38.68 86.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 81.0 tttt -63.46 -51.92 63.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.877 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.09 -39.47 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 -50.93 71.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.119 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -55.23 -51.05 67.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.32 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 83.3 m-70 -70.1 -25.86 63.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -74.78 -58.63 3.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -56.36 -45.0 80.68 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.0 ttm -68.16 -41.86 80.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -78.27 -30.58 48.61 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.86 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -92.89 -53.48 4.14 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -114.92 18.3 16.5 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -172.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 61.98 30.83 18.12 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.85 149.89 49.93 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.61 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -77.32 -29.28 53.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.877 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -168.74 167.02 11.44 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.616 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.89 140.38 11.39 Favored Glycine 0 C--N 1.287 -2.188 0 N-CA-C 108.076 -2.01 . . . . 0.0 108.076 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -141.36 -179.23 6.01 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.9 t -102.25 130.53 48.95 Favored 'General case' 0 N--CA 1.418 -2.034 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -175.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 34.6 t -145.11 129.15 17.53 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.9 m80 67.51 14.17 9.52 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.369 0.668 . . . . 0.0 110.676 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.65 16.99 66.94 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.484 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -131.92 169.42 16.31 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.003 0.43 . . . . 0.0 111.039 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 40.9 t -85.6 116.03 23.65 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.304 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 36' ' ' SER . 3.1 m-85 -112.11 119.21 37.65 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.087 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.32 126.13 34.11 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -103.1 119.07 38.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.89 0.852 . . . . 0.0 111.111 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -110.68 -175.3 2.68 Favored 'General case' 0 C--N 1.287 -2.116 0 CA-C-N 114.091 -1.413 . . . . 0.0 107.447 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 15.8 t-80 -120.9 135.76 55.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.547 178.508 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -72.0 96.68 1.76 Allowed 'General case' 0 N--CA 1.435 -1.187 0 CA-C-O 121.658 0.742 . . . . 0.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -102.53 131.68 49.1 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.669 0.747 . . . . 0.0 111.709 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -116.68 99.8 7.38 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.035 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.94 121.08 5.67 Favored Glycine 0 N--CA 1.429 -1.778 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.086 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -77.97 133.71 37.98 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -79.34 125.95 30.17 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -58.25 137.22 57.27 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 124.238 0.961 . . . . 0.0 111.885 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -99.23 0.24 42.81 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.545 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m 64.32 -171.12 0.18 Allowed 'General case' 0 C--O 1.251 1.149 0 O-C-N 124.678 1.236 . . . . 0.0 109.163 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 m95 59.16 30.56 20.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.048 0.928 . . . . 0.0 111.84 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -107.18 30.15 6.47 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.62 -167.86 39.21 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -86.1 130.87 34.4 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -84.55 122.81 29.55 Favored 'General case' 0 C--N 1.282 -2.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.696 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 80.6 m-85 -123.54 147.28 47.41 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 173.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -58.45 -77.52 0.03 OUTLIER 'General case' 0 C--O 1.252 1.234 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -170.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 18.5 ptpt -75.54 -19.45 59.32 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.682 -175.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' HIS . 64.8 mttp -73.5 -42.64 61.56 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.7 t -75.44 -24.73 57.08 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 118.43 -1.308 . . . . 0.0 108.279 177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 8.7 t30 -54.36 -60.34 3.47 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.804 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 35.2 p80 -67.43 -35.91 80.17 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.749 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -57.19 -58.88 6.27 Favored 'General case' 0 C--O 1.204 -1.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.553 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 t -65.02 -36.05 83.14 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.657 0.265 . . . . 0.0 110.823 -176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.1 ttt -56.64 -33.52 66.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.692 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.69 -43.21 7.27 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.296 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -70.61 -43.19 69.83 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.47 15.87 10.42 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.346 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 50.95 74.21 0.25 Allowed 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.842 1.339 . . . . 0.0 110.449 -176.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.7 164.29 12.89 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.672 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -77.87 -48.58 16.08 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -160.16 158.17 29.69 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.862 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.35 127.26 6.54 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -110.91 139.42 46.25 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.56 128.06 50.87 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -131.42 110.86 11.33 Favored 'General case' 0 N--CA 1.416 -2.141 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 40.1 m80 57.73 31.14 20.0 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.512 1.125 . . . . 0.0 112.281 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.02 0.58 58.64 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.589 -0.815 . . . . 0.0 113.366 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -112.6 134.6 54.04 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-N 117.672 0.736 . . . . 0.0 110.835 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.5 t -94.54 110.86 22.63 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.529 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.77 111.91 24.23 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -87.18 130.56 34.5 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.63 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -105.78 127.73 53.27 Favored 'General case' 0 N--CA 1.428 -1.546 0 CA-C-O 121.358 0.599 . . . . 0.0 110.963 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.47 173.81 7.78 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 p80 -109.17 152.65 24.84 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.264 1.832 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 172.544 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -83.28 86.24 7.08 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.599 0.714 . . . . 0.0 110.779 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -88.36 114.14 24.68 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.231 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.7 m -83.04 108.44 16.34 Favored 'General case' 0 C--N 1.279 -2.49 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.597 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.74 121.75 5.88 Favored Glycine 0 N--CA 1.425 -2.05 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -85.57 130.02 34.68 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -70.31 157.59 37.45 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.939 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -101.52 111.81 24.16 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -130.44 -1.13 4.44 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.042 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -148.54 17.07 1.03 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.86 0.362 . . . . 0.0 111.169 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -115.02 123.57 49.39 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.628 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -130.94 176.13 8.49 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.28 -169.57 17.64 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -83.01 131.89 35.16 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.9 t -85.48 119.71 26.14 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.448 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB2' ' HB2' ' A' ' 19' ' ' LYS . 96.6 m-85 -113.89 132.53 55.89 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -63.32 -48.32 78.55 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 122.901 0.48 . . . . 0.0 111.734 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.16 -39.08 79.0 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 16' ' ' PHE . 65.1 mttm -71.58 -33.38 69.0 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -62.0 -43.01 99.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.46 -51.48 69.27 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -64.73 -39.37 93.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -57.33 -57.47 12.51 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.201 0.6 . . . . 0.0 110.305 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.7 m -61.76 -37.91 86.04 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.127 0.489 . . . . 0.0 111.473 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 ttt -60.69 -43.13 98.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.247 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.18 -45.55 22.85 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.608 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -57.66 -57.78 11.24 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.195 0.998 . . . . 0.0 112.038 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -137.46 16.68 2.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.47 71.81 0.54 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.457 1.123 . . . . 0.0 110.261 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.09 157.95 16.0 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.885 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -73.89 -36.52 64.78 Favored 'General case' 0 C--N 1.313 -0.988 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -160.96 165.55 29.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.007 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.95 125.73 5.93 Favored Glycine 0 N--CA 1.423 -2.21 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.8 t -103.56 143.25 32.98 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.3 t -102.08 103.56 14.14 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 46.9 t -105.37 110.09 22.31 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.353 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 57.95 27.09 14.23 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.06 0.944 . . . . 0.0 112.629 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.22 39.61 Favored Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 120.303 -0.951 . . . . 0.0 113.168 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -128.81 149.05 50.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 117.345 0.573 . . . . 0.0 111.476 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.7 t -88.15 123.95 33.32 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.676 -178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' SER . 34.4 m-85 -122.55 123.59 41.59 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.9 m -91.2 125.6 36.02 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.82 123.6 48.22 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 121.905 0.86 . . . . 0.0 113.255 -177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 38.4 m-85 -118.7 135.08 54.67 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.088 -1.414 . . . . 0.0 107.186 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -84.23 114.24 21.68 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.188 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.55 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -86.0 94.95 9.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.76 0.791 . . . . 0.0 112.573 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.19 138.57 51.16 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 47.1 t -117.7 95.25 4.86 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.675 0.75 . . . . 0.0 112.25 -173.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.97 106.29 3.31 Favored Glycine 0 N--CA 1.43 -1.766 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.531 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -99.34 161.91 13.35 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -68.89 127.81 34.44 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.94 134.92 33.95 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -80.29 -17.49 51.96 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.412 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -84.16 78.3 9.8 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.419 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -71.83 140.62 49.46 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.69 0.757 . . . . 0.0 112.334 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -105.31 149.2 26.25 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.344 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.29 -45.95 6.02 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.174 -1.971 . . . . 0.0 108.174 172.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -131.79 138.08 48.4 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.26 107.62 19.25 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.7 120.25 41.79 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -57.14 -39.85 76.0 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 123.499 0.499 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.35 -47.01 80.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.556 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.92 -41.34 91.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.836 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -58.32 -46.78 85.55 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.38 -61.38 2.53 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.516 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -60.27 -52.11 66.69 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -61.17 -46.4 90.66 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.372 0.42 . . . . 0.0 110.8 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.76 -36.33 73.05 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.667 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.419 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 51.0 ttp -64.17 -45.08 89.99 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.157 0.503 . . . . 0.0 110.041 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.12 -52.18 44.93 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.305 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -83.46 -57.14 3.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -97.95 -0.24 45.2 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.284 -170.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.49 67.46 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.972 1.368 . . . . 0.0 111.556 -173.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -92.97 159.88 15.12 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.143 -1.389 . . . . 0.0 107.369 174.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -73.89 -41.0 62.78 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -166.23 166.06 17.1 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 114.195 -1.366 . . . . 0.0 107.767 176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.66 133.71 6.83 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.2 m -127.17 174.82 8.62 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 117.388 0.594 . . . . 0.0 110.023 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.1 135.2 46.88 Favored 'General case' 0 N--CA 1.423 -1.799 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.471 ' HB2' ' CD1' ' A' ' 41' ' ' TYR . 51.5 m -144.48 120.65 10.82 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.0 m170 65.97 16.69 10.56 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.321 1.049 . . . . 0.0 111.595 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.32 12.46 65.2 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.766 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -120.02 145.74 46.54 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.86 124.32 25.9 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 36' ' ' SER . 36.2 m-85 -120.86 115.52 23.4 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.388 0.613 . . . . 0.0 110.543 177.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.7 m -85.75 129.63 34.78 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.689 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 89.8 m-85 -109.63 117.35 33.7 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.493 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 91.2 m-85 -110.29 173.2 6.44 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.358 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -89.43 115.49 26.91 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.173 0.511 . . . . 0.0 110.363 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.297 -1.688 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.614 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.246 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -76.96 99.62 5.32 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -74.31 78.78 1.84 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.254 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 53.0 t -89.75 89.33 7.73 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.87 130.72 10.32 Favored Glycine 0 N--CA 1.413 -2.854 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.048 -173.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -83.79 134.28 34.73 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 173.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.68 154.47 41.35 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 p -61.29 97.7 0.07 Allowed 'General case' 0 C--N 1.312 -1.055 0 O-C-N 123.36 0.413 . . . . 0.0 110.599 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -78.27 -39.29 40.51 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -89.17 119.77 29.96 Favored 'General case' 0 N--CA 1.402 -2.865 0 CA-C-N 113.94 -1.482 . . . . 0.0 107.649 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -82.79 -7.36 59.66 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -102.26 79.4 1.85 Allowed 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 174.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.22 86.41 0.16 Allowed Glycine 0 C--N 1.297 -1.59 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -53.72 144.6 17.59 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 124.315 1.046 . . . . 0.0 111.528 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.3 97.7 2.06 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.958 -176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -129.97 168.77 16.16 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -110.49 -63.8 1.35 Allowed 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.109 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -66.74 -43.77 83.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -66.24 -34.78 78.78 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -67.84 -41.35 83.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 32' ' ' TYR . 9.1 t30 -58.21 -51.36 70.09 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.628 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -71.03 -27.92 64.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -61.65 -55.94 25.15 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -64.78 -37.39 87.44 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.249 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.7 tpp -59.46 -40.82 88.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.438 0.695 . . . . 0.0 109.85 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -79.18 -45.17 20.44 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.482 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' A' ' 28' ' ' GLU . 23.6 tptm -60.17 -60.5 3.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.693 -176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 37.6 mt-10 -128.55 5.71 5.65 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -174.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 t70 64.37 75.5 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.259 1.028 . . . . 0.0 108.23 -174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.25 171.16 8.39 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.23 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -80.93 -45.23 17.03 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 15.2 p90 -163.0 150.15 13.0 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.062 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.93 146.96 16.67 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 m -149.59 150.43 32.2 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -85.85 137.47 32.74 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 t -143.27 127.64 17.8 Favored 'General case' 0 N--CA 1.408 -2.543 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 65.79 10.72 7.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.092 0.957 . . . . 0.0 112.273 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.18 10.0 55.02 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.544 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.84 156.49 41.26 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 120.857 0.361 . . . . 0.0 110.759 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 54.0 t -83.9 113.02 20.66 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.485 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.99 134.86 47.38 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.6 m -101.85 121.82 42.82 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.049 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.64 127.27 51.1 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.403 0.62 . . . . 0.0 110.839 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.474 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 72.1 m-85 -117.77 170.35 8.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -104.96 103.39 12.95 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.486 -0.886 . . . . 0.0 108.643 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.279 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -90.74 111.7 23.18 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -120.46 109.94 15.89 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.761 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.6 m -100.96 93.32 5.45 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.381 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.0 102.32 1.32 Allowed Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -77.46 138.59 39.33 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -69.48 141.97 53.85 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 123.924 0.765 . . . . 0.0 109.295 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -60.88 100.62 0.12 Allowed 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.256 1.022 . . . . 0.0 111.084 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.34 -33.35 43.12 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -96.42 85.56 3.95 Favored 'General case' 0 N--CA 1.407 -2.604 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.439 172.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -93.18 -23.86 18.42 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.611 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -77.85 103.34 7.73 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.277 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.63 -178.57 35.68 Favored Glycine 0 N--CA 1.426 -1.979 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -102.75 126.13 49.75 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 118.592 1.196 . . . . 0.0 108.927 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -79.43 127.2 31.81 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.15 -175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.92 142.08 36.47 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -60.48 -64.72 0.85 Allowed 'General case' 0 C--N 1.316 -0.856 0 O-C-N 123.862 0.726 . . . . 0.0 111.626 -174.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -59.98 -39.54 86.05 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.071 0.232 . . . . 0.0 111.487 -178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -51.22 -63.66 1.06 Allowed 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 124.293 0.995 . . . . 0.0 111.274 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.8 m -73.84 -21.24 60.19 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.517 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -64.28 -61.03 2.5 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 175.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -67.02 -32.05 73.01 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.342 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -59.03 -64.51 0.92 Allowed 'General case' 0 C--O 1.217 -0.648 0 O-C-N 123.847 0.717 . . . . 0.0 109.968 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.8 m -59.08 -36.37 74.98 Favored 'General case' 0 C--O 1.25 1.107 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.578 ' O ' ' HA ' ' A' ' 29' ' ' ASP . 49.7 ttm -58.3 -38.81 77.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 123.475 0.71 . . . . 0.0 111.369 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -94.81 -41.63 9.12 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.169 0.509 . . . . 0.0 110.086 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -55.18 -55.2 33.88 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 125.425 1.49 . . . . 0.0 112.859 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -132.56 16.14 4.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.713 0.292 . . . . 0.0 111.44 -175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.578 ' HA ' ' O ' ' A' ' 25' ' ' MET . 6.1 m-20 55.29 64.65 1.71 Allowed 'General case' 0 CA--C 1.493 -1.244 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.519 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -87.37 156.62 19.52 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.664 175.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.24 -49.4 35.41 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -163.39 145.41 9.76 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.633 176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -107.58 153.49 16.8 Favored Glycine 0 N--CA 1.427 -1.952 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 173.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 m -148.47 164.24 34.77 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.0 t -106.0 110.4 22.65 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -114.84 107.5 15.5 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.14 25.4 15.21 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 112.292 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.71 8.1 59.66 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.772 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -120.26 134.72 55.2 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 85.5 m -80.55 101.45 9.16 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.803 0.335 . . . . 0.0 111.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.14 133.23 42.06 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 74.0 m -119.92 123.93 44.77 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 121.16 0.505 . . . . 0.0 109.926 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -93.24 118.22 30.99 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.717 -173.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 95.3 m-85 -109.7 168.42 9.42 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.403 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -70.43 110.24 5.23 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.854 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.067 174.207 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -77.37 143.58 38.6 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 121.093 0.473 . . . . 0.0 110.358 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -106.07 107.69 18.82 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.126 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.23 92.14 3.83 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.67 135.02 12.03 Favored Glycine 0 C--N 1.299 -1.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.389 -172.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -93.38 148.13 22.33 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -58.67 152.0 19.66 Favored 'General case' 0 C--O 1.243 0.761 0 O-C-N 123.818 0.699 . . . . 0.0 110.209 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.5 m -93.85 162.14 14.03 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.28 0.562 . . . . 0.0 112.08 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -112.56 5.49 17.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 171.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -75.89 11.64 1.35 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -72.18 -34.77 68.69 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -104.84 83.26 1.98 Allowed 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.12 -160.45 28.16 Favored Glycine 0 N--CA 1.417 -2.623 0 N-CA-C 106.649 -2.58 . . . . 0.0 106.649 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 13.5 tppt? -139.96 156.05 46.84 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 118.677 1.239 . . . . 0.0 109.198 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 51.6 t -76.65 122.6 24.9 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 14' ' ' LYS . 95.4 m-85 -128.11 102.57 6.78 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 174.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 34' ' ' SER . 44.9 t-80 -52.28 -57.16 10.59 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -62.79 -46.86 86.04 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-O 120.558 0.218 . . . . 0.0 110.965 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -58.59 -54.4 47.47 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -65.01 -37.34 87.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.619 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.3 -51.88 67.92 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 120.667 0.27 . . . . 0.0 110.667 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -80.29 -28.26 38.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -59.92 -50.26 74.46 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.53 -46.92 77.7 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.278 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.72 -38.53 85.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.592 0.234 . . . . 0.0 111.327 -177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -84.29 -64.62 1.13 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.013 0.435 . . . . 0.0 111.748 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -74.12 -40.99 62.3 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -98.29 -2.84 38.55 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.1 t70 54.32 71.08 0.54 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.246 1.022 . . . . 0.0 110.196 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.08 170.46 8.84 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.725 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -84.01 -49.19 9.17 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -166.36 153.01 9.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -123.65 131.41 8.05 Favored Glycine 0 C--N 1.293 -1.853 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.541 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 10.6 t -124.67 166.6 15.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 -177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -97.36 127.64 43.49 Favored 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.0 t -130.87 110.79 11.55 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.12 16.3 10.4 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.966 0.906 . . . . 0.0 111.256 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.89 16.71 35.01 Favored Glycine 0 N--CA 1.429 -1.773 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -127.31 151.37 48.84 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.658 0.266 . . . . 0.0 111.253 175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 15' ' ' CYS . 72.8 m -88.45 99.38 12.24 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.019 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -95.55 114.45 26.21 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.241 0.543 . . . . 0.0 109.693 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 69.7 m -94.53 124.39 38.53 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.977 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.61 130.14 45.14 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.786 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -112.22 175.64 5.35 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.066 -178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -95.91 104.28 16.21 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.38 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.544 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -120.88 123.27 42.11 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -92.25 128.73 38.2 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.232 0.539 . . . . 0.0 110.196 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.8 m -125.24 114.92 19.6 Favored 'General case' 0 C--N 1.285 -2.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 42' ' ' CYS . . . -90.22 137.96 14.25 Favored Glycine 0 N--CA 1.425 -2.086 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.496 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 62.2 pttt -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -76.9 122.46 24.88 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -77.34 81.48 3.82 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-O 121.982 0.896 . . . . 0.0 112.714 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -81.04 -28.75 35.25 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 t -77.12 118.33 19.55 Favored 'General case' 0 N--CA 1.419 -1.981 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 170.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -75.97 119.51 20.04 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.412 0.625 . . . . 0.0 112.351 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.6 125.12 49.92 Favored 'General case' 0 CA--C 1.489 -1.395 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 172.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.36 -37.59 90.63 Favored Glycine 0 N--CA 1.435 -1.383 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -128.12 174.93 8.82 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 121.893 0.854 . . . . 0.0 110.44 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -140.91 120.19 13.0 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-N 113.723 -1.58 . . . . 0.0 108.921 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.73 112.46 19.79 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -55.73 -39.47 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.826 0.704 . . . . 0.0 112.876 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -66.07 -46.96 75.86 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.004 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.38 -48.45 81.22 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.943 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.97 -43.14 86.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.469 0.481 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -61.51 -58.75 6.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.308 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -67.5 -32.15 72.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.42 -62.62 1.32 Allowed 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.363 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 m -63.95 -35.93 82.31 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.407 ' HA ' ' H ' ' A' ' 30' ' ' ALA . 50.6 ttm -61.13 -35.87 78.2 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.694 0.283 . . . . 0.0 110.802 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -88.82 -56.5 3.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.133 0.492 . . . . 0.0 110.217 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.85 -45.44 92.58 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -118.63 13.22 13.32 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.817 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 51.71 67.75 0.91 Allowed 'General case' 0 C--O 1.238 0.467 0 CA-C-O 122.324 1.059 . . . . 0.0 110.013 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' H ' ' HA ' ' A' ' 25' ' ' MET . . . -104.45 167.59 9.64 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.854 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -79.91 -43.39 22.29 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -169.25 161.35 10.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.949 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.19 139.11 12.51 Favored Glycine 0 C--N 1.294 -1.769 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -145.04 173.67 11.7 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 117.715 0.757 . . . . 0.0 109.458 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.2 m -102.1 133.14 47.42 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.186 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 41' ' ' TYR . 42.8 t -147.99 128.73 14.25 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 35.9 m80 69.53 2.4 3.74 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.069 0.948 . . . . 0.0 111.637 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.07 5.26 62.54 Favored Glycine 0 C--O 1.239 0.458 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -173.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.82 157.98 17.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 C-N-CA 123.5 0.72 . . . . 0.0 110.274 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -94.1 111.11 22.8 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.496 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 56.9 m-85 -109.45 127.36 54.35 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' SG ' ' HE2' ' A' ' 6' ' ' LYS . 61.4 m -105.53 122.46 46.05 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -96.5 129.37 43.88 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -124.61 -179.43 4.5 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -89.61 136.7 32.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 C--N 1.317 -0.816 0 C-N-CA 123.384 0.674 . . . . 0.0 110.996 -179.681 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -93.3 124.96 37.64 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-O 121.276 0.56 . . . . 0.0 109.979 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.54 134.72 22.82 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.301 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -116.54 137.64 52.02 Favored 'General case' 0 C--N 1.278 -2.521 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.948 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.05 133.98 11.59 Favored Glycine 0 N--CA 1.429 -1.791 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.484 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -116.92 135.0 54.05 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -89.77 136.46 33.02 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.7 m -71.05 149.94 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.436 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -64.91 -48.7 73.21 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m 63.0 85.64 0.13 Allowed 'General case' 0 C--O 1.251 1.138 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.867 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -76.76 -46.32 25.66 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.933 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -172.7 91.9 0.11 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.425 173.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.93 156.94 27.0 Favored Glycine 0 N--CA 1.423 -2.183 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -104.78 137.43 42.59 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.9 t -82.84 117.51 22.77 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.429 0.633 . . . . 0.0 112.229 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -136.68 145.06 44.31 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -58.84 -47.74 83.76 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -65.36 -35.87 82.28 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.838 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -63.82 -52.83 58.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.004 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.01 -40.37 95.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.891 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -69.38 -53.15 20.89 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.091 -178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 85.0 m-70 -65.4 -29.06 69.73 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 52.6 t-105 -71.48 -65.14 0.79 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.6 m -65.96 -33.85 76.77 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -171.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttt -83.59 -33.85 25.27 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 119.601 1.092 . . . . 0.0 109.424 -173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 34.5 mt-10 -88.54 -30.58 19.21 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.428 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' TRP . 19.1 tptm -98.58 -50.94 4.09 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -91.62 -7.11 50.99 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.405 0.621 . . . . 0.0 109.62 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.3 t70 58.72 33.56 23.16 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.137 1.375 . . . . 0.0 109.683 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.8 163.72 25.19 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.582 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.47 -46.19 84.12 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -171.41 167.87 6.68 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.469 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.23 141.7 13.01 Favored Glycine 0 N--CA 1.436 -1.364 0 N-CA-C 109.746 -1.341 . . . . 0.0 109.746 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.8 m -141.67 168.7 19.13 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 117.368 0.584 . . . . 0.0 110.43 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.78 131.91 54.5 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -132.86 110.76 10.54 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 67.92 19.25 9.49 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.816 0.846 . . . . 0.0 111.267 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.32 4.68 73.65 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.163 -1.018 . . . . 0.0 111.766 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -110.01 141.14 43.24 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.8 t -86.29 119.31 26.43 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.461 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -119.06 124.81 47.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 75.8 m -109.12 131.6 54.91 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.79 128.43 49.55 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.17 0.509 . . . . 0.0 111.769 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -115.92 154.93 28.88 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.974 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -72.84 107.75 5.42 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 126.616 1.966 . . . . 0.0 114.273 -176.507 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 45' ' ' HIS . 87.4 tttt -90.09 115.16 27.14 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -72.64 128.22 34.92 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.574 0.546 . . . . 0.0 109.777 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 67.0 m -128.68 116.28 19.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.551 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.0 109.58 3.38 Favored Glycine 0 N--CA 1.442 -0.904 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -80.41 151.11 29.52 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -62.25 152.84 32.38 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 121.614 0.721 . . . . 0.0 110.95 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -80.3 72.47 7.15 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.518 -174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -92.23 -0.47 57.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.429 1.109 . . . . 0.0 109.065 173.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -105.84 36.07 2.67 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 105.513 -2.032 . . . . 0.0 105.513 172.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -44.68 139.39 2.94 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 127.152 2.181 . . . . 0.0 113.998 -172.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.96 129.56 25.97 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.34 -62.11 4.97 Favored Glycine 0 CA--C 1.499 -0.924 0 O-C-N 123.945 0.778 . . . . 0.0 113.451 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -92.13 133.44 35.76 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -83.56 91.13 7.36 Favored 'General case' 0 C--N 1.276 -2.63 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 99.1 m-85 -77.52 115.22 17.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.68 -72.41 0.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.039 0.837 . . . . 0.0 112.541 -173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 22' ' ' HIS . 60.4 tttm -68.26 -35.67 78.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.162 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 16' ' ' PHE . 59.5 tptt -64.47 -50.01 69.16 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.7 t -73.1 -29.68 63.1 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.609 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -55.11 -55.85 26.43 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.869 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 18' ' ' LYS . 52.5 m-70 -70.87 -28.98 64.97 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.444 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -59.31 -60.29 4.09 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.68 -41.34 88.26 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 28.0 ttt -57.87 -43.56 86.07 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.16 -57.62 2.83 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -72.57 -41.39 65.77 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -95.77 -4.38 44.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -172.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 70.06 22.93 5.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.346 1.069 . . . . 0.0 110.102 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 25' ' ' MET . . . -78.79 162.9 25.78 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.246 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -87.34 -38.8 15.89 Favored 'General case' 0 C--N 1.283 -2.301 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.233 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -161.61 150.19 15.62 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.608 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.16 132.73 10.84 Favored Glycine 0 C--N 1.296 -1.642 0 N-CA-C 108.65 -1.78 . . . . 0.0 108.65 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 t -136.46 144.51 44.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 117.59 0.695 . . . . 0.0 109.981 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.93 128.01 33.26 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.394 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 21.0 t -144.13 121.49 11.63 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.3 m80 67.67 13.59 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.356 1.062 . . . . 0.0 111.588 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.58 -9.43 62.45 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -102.88 158.09 16.51 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 120.622 0.248 . . . . 0.0 110.641 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 50.7 t -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 36' ' ' SER . 34.0 m-85 -95.34 116.85 29.33 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.4 m -94.16 118.12 31.09 Favored 'General case' 0 C--N 1.287 -2.147 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' ' 4' ' ' CYS . 30.8 m-85 -91.74 127.75 37.31 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.545 -173.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -120.92 179.14 4.46 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 6.4 p80 -104.61 137.11 42.94 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.941 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.295 -1.784 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.343 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.885 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 60.1 pttt -138.41 83.47 1.97 Allowed 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 121.951 0.881 . . . . 0.0 110.436 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -105.65 92.62 4.26 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.712 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -96.96 111.74 23.81 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.363 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.39 156.31 22.63 Favored Glycine 0 N--CA 1.433 -1.56 0 CA-C-N 115.495 -0.775 . . . . 0.0 113.105 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -61.73 139.0 58.37 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 124.596 1.158 . . . . 0.0 110.808 178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -72.52 101.43 2.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 168.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.456 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.2 t -86.92 109.72 19.53 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-O 122.234 1.016 . . . . 0.0 112.389 -168.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -98.15 -32.57 11.53 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.25 -1.341 . . . . 0.0 107.687 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -95.31 104.56 16.45 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.421 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CZ2' ' HB3' ' A' ' 8' ' ' SER . 3.4 m-90 -128.66 99.73 5.46 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -134.33 105.64 6.71 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.17 -166.68 12.21 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -92.74 151.62 19.95 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.8 t -86.66 114.18 23.15 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-O 121.465 0.65 . . . . 0.0 110.937 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -116.99 113.99 23.14 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -48.25 -53.6 16.56 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.54 -38.69 77.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.78 -32.87 70.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.388 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -64.8 -42.45 95.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.264 172.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -55.26 -48.84 73.42 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.788 0.328 . . . . 0.0 111.33 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -73.0 -33.3 65.69 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.235 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -63.6 -48.33 77.78 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.88 -43.99 97.72 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.186 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.15 -47.74 83.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.352 0.596 . . . . 0.0 110.352 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.2 -51.69 29.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.79 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -91.97 -40.96 10.83 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -170.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -103.94 -15.3 15.68 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -169.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 61.93 82.82 0.16 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.067 0.854 . . . . 0.0 109.23 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.44 6.26 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.865 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -82.72 -48.73 10.53 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -157.6 151.84 24.7 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.0 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.21 149.48 18.74 Favored Glycine 0 CA--C 1.479 -2.206 0 N-CA-C 107.502 -2.239 . . . . 0.0 107.502 174.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 m -150.92 174.23 13.35 Favored 'General case' 0 C--N 1.283 -2.313 0 CA-C-N 117.268 0.534 . . . . 0.0 110.47 -175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.1 t -111.42 112.39 24.1 Favored 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -110.64 105.56 14.5 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.708 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 68.21 17.21 9.37 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.484 1.113 . . . . 0.0 111.459 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.26 5.12 58.23 Favored Glycine 0 C--N 1.306 -1.089 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.58 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -114.13 136.03 53.38 Favored 'General case' 0 CA--C 1.49 -1.354 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.7 t -74.29 129.74 38.37 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.487 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -138.68 143.66 39.27 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.327 0.584 . . . . 0.0 112.402 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.5 m -107.94 137.48 45.87 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -113.89 133.53 55.38 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 121.278 0.561 . . . . 0.0 111.563 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -123.51 -171.69 2.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.658 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.53 145.19 29.89 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.989 172.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 35.5 m . . . . . 0 C--N 1.284 -2.248 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 174.999 . . . . . . . . 1 1 . 1 stop_ save_