data_6nk9_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 6nk9 _Structure_validation_residue.Date_analyzed 2020-01-10 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 ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.914 0.388 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -63.97 -103.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.609 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 133.78 -179.19 17.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.095 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.98 116.91 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.39 6.26 68.68 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.411 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.36 135.21 33.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -57.83 139.95 52.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -141.25 154.36 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -106.05 -36.31 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -133.37 176.54 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.774 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -76.82 -15.65 59.66 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.646 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -75.99 -4.1 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.877 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -82.97 -2.85 56.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.339 0.59 . . . . 0.0 109.966 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.553 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 72.7 m -135.62 161.48 35.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.1 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 151.35 47.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -55.95 97.18 0.02 OUTLIER 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.713 0.633 . . . . 0.0 110.742 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.93 -39.07 0.56 Allowed Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.53 111.17 23.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 21.0 m95 -97.31 148.37 23.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -86.86 120.68 28.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -74.7 88.72 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.33 -87.51 0.5 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.541 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 p -158.92 28.46 0.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.127 0.489 . . . . 0.0 109.987 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.6 -84.87 1.83 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.314 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -139.18 145.32 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 92.6 m -67.23 141.48 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.436 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -113.89 149.41 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.799 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.26 68.01 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.313 0.578 . . . . 0.0 111.964 -174.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 4.4 tmm_? -60.78 -57.63 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.89 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.153 178.844 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.3 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.979 0.418 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -144.08 132.64 4.95 Favored Glycine 0 N--CA 1.438 -1.192 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.431 ' HA2' HD13 ' A' ' 26' ' ' LEU . . . -84.66 -179.86 51.35 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.896 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.59 119.35 9.04 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.32 -9.64 42.34 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.437 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -72.38 137.83 46.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.582 0.229 . . . . 0.0 110.738 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.57 139.3 51.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.044 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.6 p -152.21 140.16 20.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.946 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.1 m -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 171.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -128.25 154.03 46.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.734 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -85.45 -15.42 42.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -73.22 -6.31 45.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.181 0.515 . . . . 0.0 110.193 173.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 12.0 t70 -70.6 -40.87 72.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.764 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.553 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 73.6 m -92.88 169.12 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.5 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.21 152.37 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.086 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -55.38 112.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.021 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 38' ' ' ARG . . . 125.35 -28.56 5.02 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD13 ' HA2' ' A' ' 11' ' ' GLY . 25.1 mt -110.4 110.9 21.84 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 41.0 m95 -113.03 155.81 24.18 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -171.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.58 149.52 26.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.489 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 p -84.04 40.53 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.515 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.24 69.28 1.42 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.829 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.3 m 59.3 59.91 2.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.657 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.78 -101.76 0.26 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.047 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 48.3 m-70 -135.2 135.76 41.26 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 95.2 m -67.28 154.73 40.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.353 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -145.93 169.04 19.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.313 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -71.87 80.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.459 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -82.5 -61.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 72.7 ttt180 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.118 0.485 . . . . 0.0 110.231 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.594 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -66.95 -110.15 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.376 171.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 140.17 -172.04 23.64 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.22 116.99 14.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.218 0.509 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.55 10.22 68.02 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.126 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -86.64 141.79 28.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -70.29 138.06 51.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.408 179.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 p -146.61 155.59 42.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.269 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -113.52 -30.32 6.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.0 p -132.56 175.53 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.156 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -73.93 -21.37 60.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.085 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -68.47 -16.35 63.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.265 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.28 -11.96 61.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.103 0.478 . . . . 0.0 110.218 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.594 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 89.2 m -131.12 158.36 40.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.69 156.37 39.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -58.55 102.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.516 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.54 1.89 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -100.51 114.48 28.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 28.5 m95 -104.03 144.18 31.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.0 t -80.26 115.35 19.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.802 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -82.43 161.89 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.46 -5.98 32.2 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.303 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 p -83.96 -4.34 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 84.13 24.07 49.53 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.881 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 43.9 m80 -134.37 137.11 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 76.4 m -77.79 141.32 39.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.7 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -124.46 156.42 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.44 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 5.0 t60 -79.43 69.97 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -64.47 -27.28 68.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.23 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.465 0.279 0 O-C-N 123.383 0.427 . . . . 0.0 111.594 177.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.516 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -69.63 -139.93 0.12 Allowed Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.781 174.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 173.47 -169.75 42.86 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.652 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.76 120.69 17.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.844 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.06 -2.52 75.65 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.373 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.1 147.63 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -68.14 146.78 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.472 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 19.0 p -151.34 160.37 43.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.963 0.411 . . . . 0.0 111.056 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -116.68 -21.96 8.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.7 p -144.7 166.68 24.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.947 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.78 -21.85 63.38 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.97 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -69.6 -11.28 60.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.605 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.39 -21.41 61.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.436 0.636 . . . . 0.0 109.566 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.516 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 85.1 m -124.28 170.9 10.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.147 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -73.84 160.08 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.747 0.308 . . . . 0.0 110.437 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -53.24 -26.31 17.43 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -167.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.82 -14.54 81.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.556 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -110.16 123.68 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -99.05 145.42 27.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -90.3 135.68 33.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 p -76.1 60.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.557 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 -72.91 2.51 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -159.36 37.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.411 0.624 . . . . 0.0 109.483 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.79 -83.89 1.3 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.395 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -133.2 146.82 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.836 0.35 . . . . 0.0 110.441 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 81.8 m -79.34 117.31 20.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.984 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -105.07 146.39 29.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.863 0.363 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.7 96.47 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 111.457 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -90.16 -45.74 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.057 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.5 mmp_? . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.626 0.727 . . . . 0.0 110.16 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.299 0.095 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.667 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -44.59 -84.36 0.02 OUTLIER Glycine 0 CA--C 1.519 0.289 0 O-C-N 124.07 0.856 . . . . 0.0 113.955 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 171.05 13.08 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.658 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.52 5.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 10.77 44.55 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.1 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.35 134.91 34.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 18.4 ptpt -67.13 141.31 57.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.182 0.515 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -143.36 154.82 44.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.254 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -105.82 -29.58 9.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.5 p -133.62 163.94 28.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.983 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -73.06 -15.4 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.98 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.5 m -74.61 -14.65 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.139 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.57 -21.05 66.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.426 0.631 . . . . 0.0 109.831 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.667 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 74.0 m -118.74 165.59 13.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.703 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.32 161.12 20.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -65.76 -18.81 65.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.24 -6.72 86.55 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.702 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 36' ' ' HIS . 11.2 mt -125.87 174.46 8.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -161.27 158.58 27.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.893 0.378 . . . . 0.0 110.294 174.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.14 146.72 24.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.085 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.5 p -79.09 61.46 3.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.283 0.563 . . . . 0.0 109.965 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.8 1.84 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -153.72 35.72 0.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.582 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . -107.82 -84.62 1.67 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.285 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -149.04 140.75 23.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.705 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 78.8 m -69.34 141.15 54.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.831 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -131.0 154.8 47.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.881 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.423 ' HA ' HD23 ' A' ' 26' ' ' LEU . 1.7 p-80 -63.7 114.22 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.64 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 55.8 ttp180 -91.85 -55.32 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.572 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 -178.212 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.555 0.217 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.557 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -149.14 -98.91 0.2 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.48 176.68 23.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.738 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.31 113.9 6.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.42 -16.52 44.8 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.427 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.93 133.14 52.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.441 0.163 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -63.04 133.76 55.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 25.5 p -138.15 158.63 43.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 p -110.33 -27.3 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.903 0.858 . . . . 0.0 108.8 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -146.3 167.87 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.623 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -68.82 -16.06 63.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.445 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 m -70.72 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.916 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.32 -17.98 61.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.975 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 72.5 m -130.29 -176.26 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.278 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 m -73.5 179.21 4.17 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.9 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -67.62 -26.81 66.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.795 0.331 . . . . 0.0 111.265 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.74 -12.85 78.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.306 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 3.1 mm? -115.26 122.96 47.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.918 0.39 . . . . 0.0 110.444 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -106.02 156.43 18.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.6 t -95.07 136.66 35.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.861 0.362 . . . . 0.0 110.426 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -95.45 -178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.58 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.39 -42.37 89.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.468 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -73.83 -17.42 61.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.084 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.49 42.23 2.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.477 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -129.28 127.54 41.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.549 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 98.8 m -61.61 127.33 30.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.806 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -119.25 150.69 39.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.422 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -78.57 71.96 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.288 0.566 . . . . 0.0 112.135 -174.243 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -55.53 -44.15 76.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.569 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.563 -176.746 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 96.3 m . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.299 0.095 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.624 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -55.78 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.52 0.398 0 O-C-N 123.748 0.655 . . . . 0.0 113.182 172.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 141.02 -178.88 19.82 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.667 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.65 122.52 18.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.94 0.4 . . . . 0.0 111.165 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.33 86.38 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.504 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -82.61 149.31 27.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.63 136.22 40.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.445 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 p -142.96 147.62 35.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.938 0.399 . . . . 0.0 111.184 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 p -102.45 -35.39 8.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -129.72 157.75 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.011 171.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -71.63 -15.29 62.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.642 0.258 . . . . 0.0 110.546 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -66.3 -16.39 64.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.059 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 11.1 t70 -64.12 -45.46 88.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.855 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 56.9 m -100.8 167.44 10.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.393 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.6 164.98 25.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -67.43 -6.53 19.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -166.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.34 -22.75 58.21 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.637 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 0.9 OUTLIER -114.07 114.67 26.42 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.528 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 14.2 m95 -101.86 152.76 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.756 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.71 134.59 33.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.369 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 p -81.56 44.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.535 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.73 66.68 2.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.916 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 t 58.99 55.95 4.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.27 -89.35 0.1 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.858 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.3 m80 -135.46 147.41 48.91 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 96.3 m -82.35 115.81 21.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.271 175.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 53.2 p90 -98.7 148.0 24.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.712 0.292 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.62 78.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.344 0.592 . . . . 0.0 111.336 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -59.95 -41.19 91.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.115 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.095 -178.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 23.8 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.563 0.22 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.627 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -118.01 -88.99 1.3 Allowed Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.72 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 131.42 177.99 15.21 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 114.64 9.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 110.492 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.42 0.53 65.0 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.251 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -74.83 147.49 41.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.636 0.255 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 52.9 mttp -74.19 129.75 38.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.573 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -145.01 141.14 28.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 t -109.67 -13.0 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 169.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.6 p -140.02 152.42 46.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.112 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 62.3 pttt -74.6 -19.26 60.38 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.686 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -67.61 -15.69 63.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 10.3 t70 -67.19 -43.06 83.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.438 . . . . 0.0 109.925 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.627 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 96.4 m -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.096 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.97 -175.96 2.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.639 0.257 . . . . 0.0 111.571 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -69.31 -25.57 64.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.894 0.378 . . . . 0.0 111.63 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.2 -22.84 64.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.707 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.78 114.18 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -102.7 154.54 19.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.068 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 14.9 t -80.46 127.37 32.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 p -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.994 0.426 . . . . 0.0 111.192 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.47 -15.73 61.66 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.523 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -80.59 -15.76 55.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.013 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 123.02 -2.8 9.85 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.782 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 56.5 m80 -135.85 142.91 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.881 0.341 . . . . 0.0 110.516 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 88.9 m -77.02 146.15 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.036 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.15 174.26 6.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.015 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -77.9 105.8 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -90.89 -42.53 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.967 -179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.924 0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -164.26 141.31 7.0 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.431 ' C ' ' HG ' ' A' ' 26' ' ' LEU . . . -95.55 -160.86 33.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.806 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 121.57 20.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.93 0.395 . . . . 0.0 110.525 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 0.52 55.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.149 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -73.75 136.98 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 21.5 pttp -72.69 139.52 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -157.24 158.13 35.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 111.977 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -114.92 -33.1 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.022 168.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -122.55 156.8 33.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.9 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -77.01 -16.06 59.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.691 0.281 . . . . 0.0 111.34 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -75.51 -11.3 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.153 0.501 . . . . 0.0 110.244 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.91 -37.27 72.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.51 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.482 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.4 m -97.51 176.88 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.749 176.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.57 168.69 19.06 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.588 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.2 m -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -15.33 73.79 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.167 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 2.3 mm? -108.66 112.36 24.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.4 m95 -96.07 145.32 25.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.007 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.07 119.46 26.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.895 0.379 . . . . 0.0 111.093 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -83.15 155.67 23.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.697 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.22 -12.51 55.58 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.356 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 m -82.23 13.83 3.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.035 0.445 . . . . 0.0 110.776 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 75.5 18.38 79.85 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.747 172.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 34.8 m80 -139.4 139.96 37.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.989 0.395 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 71.6 m -80.42 144.88 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.006 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -127.62 153.86 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.054 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -80.49 73.54 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 112.06 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -67.56 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.806 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.216 0.531 . . . . 0.0 110.646 178.087 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.065 0.46 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -143.46 124.07 2.21 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -172.6 43.35 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.761 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 132.02 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.652 -0.323 . . . . 0.0 110.418 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 0.44 74.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.549 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.66 142.75 40.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -77.73 137.37 38.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.28 0.562 . . . . 0.0 110.23 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 18' ' ' THR . 8.0 p -143.26 143.64 31.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.393 -171.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -94.6 -33.82 12.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 53.0 p -138.47 179.41 6.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.478 173.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -68.84 -23.12 64.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -74.35 -7.07 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.391 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 -9.98 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.366 0.603 . . . . 0.0 109.775 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.454 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 76.8 m -129.07 -168.09 1.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 177.96 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.439 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -71.41 -20.65 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.77 -23.49 55.71 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.236 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -107.41 111.67 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -98.73 137.15 37.76 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -79.19 130.1 35.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.481 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.4 77.13 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.148 0.499 . . . . 0.0 109.874 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.14 -80.73 1.48 Allowed Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.066 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -162.16 42.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.447 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.36 -85.9 0.53 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.299 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -130.38 153.05 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.1 m -88.12 147.41 24.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.289 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -125.13 154.97 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.521 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.6 75.26 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.806 0.812 . . . . 0.0 112.265 -174.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -54.64 -51.43 65.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.155 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.973 -176.837 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.914 0.388 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -63.97 -103.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.609 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 133.78 -179.19 17.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.095 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.98 116.91 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.39 6.26 68.68 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.411 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.36 135.21 33.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -57.83 139.95 52.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -141.25 154.36 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -106.05 -36.31 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -133.37 176.54 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.774 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -76.82 -15.65 59.66 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.646 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -75.99 -4.1 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.877 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -82.97 -2.85 56.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.339 0.59 . . . . 0.0 109.966 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.553 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 72.7 m -135.62 161.48 35.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.1 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 151.35 47.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -55.95 97.18 0.02 OUTLIER 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.713 0.633 . . . . 0.0 110.742 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.93 -39.07 0.56 Allowed Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.53 111.17 23.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 21.0 m95 -97.31 148.37 23.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -86.86 120.68 28.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -74.7 88.72 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.33 -87.51 0.5 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.541 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 p -158.92 28.46 0.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.127 0.489 . . . . 0.0 109.987 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.6 -84.87 1.83 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.314 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -139.18 145.32 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 92.6 m -67.23 141.48 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.436 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -113.89 149.41 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.799 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -80.26 68.01 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.313 0.578 . . . . 0.0 111.964 -174.127 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 4.4 tmm_? -60.78 -57.63 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.89 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 30.4 ttt180 -79.37 -0.59 33.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.153 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' HA ' ' HB2' ' A' ' 36' ' ' HIS . 96.3 m-85 72.84 -60.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.695 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.31 -1.123 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.743 175.04 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.3 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.979 0.418 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -144.08 132.64 4.95 Favored Glycine 0 N--CA 1.438 -1.192 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.431 ' HA2' HD13 ' A' ' 26' ' ' LEU . . . -84.66 -179.86 51.35 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.896 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.59 119.35 9.04 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.32 -9.64 42.34 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.437 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -72.38 137.83 46.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.582 0.229 . . . . 0.0 110.738 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.57 139.3 51.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.044 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.6 p -152.21 140.16 20.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.946 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.1 m -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 171.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -128.25 154.03 46.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.734 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -85.45 -15.42 42.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -73.22 -6.31 45.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.181 0.515 . . . . 0.0 110.193 173.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 12.0 t70 -70.6 -40.87 72.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.764 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.553 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 73.6 m -92.88 169.12 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.5 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.21 152.37 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.086 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -55.38 112.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.021 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 38' ' ' ARG . . . 125.35 -28.56 5.02 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD13 ' HA2' ' A' ' 11' ' ' GLY . 25.1 mt -110.4 110.9 21.84 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 41.0 m95 -113.03 155.81 24.18 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -171.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.58 149.52 26.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.489 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 p -84.04 40.53 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.515 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.24 69.28 1.42 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.829 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.3 m 59.3 59.91 2.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.657 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.78 -101.76 0.26 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.047 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 48.3 m-70 -135.2 135.76 41.26 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 95.2 m -67.28 154.73 40.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.353 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -145.93 169.04 19.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.313 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -71.87 80.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.459 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -82.5 -61.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 72.7 ttt180 -109.13 -37.84 5.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.118 0.485 . . . . 0.0 110.231 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -88.33 108.81 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.817 -177.792 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.594 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -66.95 -110.15 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.376 171.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 140.17 -172.04 23.64 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.22 116.99 14.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.218 0.509 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.55 10.22 68.02 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.126 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -86.64 141.79 28.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -70.29 138.06 51.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.408 179.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 p -146.61 155.59 42.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.269 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -113.52 -30.32 6.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.0 p -132.56 175.53 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.156 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -73.93 -21.37 60.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.085 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -68.47 -16.35 63.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.265 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.28 -11.96 61.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.103 0.478 . . . . 0.0 110.218 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.594 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 89.2 m -131.12 158.36 40.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.69 156.37 39.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -58.55 102.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.516 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.54 1.89 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -100.51 114.48 28.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 28.5 m95 -104.03 144.18 31.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.0 t -80.26 115.35 19.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.802 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -82.43 161.89 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.46 -5.98 32.2 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.303 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 p -83.96 -4.34 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 84.13 24.07 49.53 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.881 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 43.9 m80 -134.37 137.11 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 76.4 m -77.79 141.32 39.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.7 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -124.46 156.42 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.44 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 5.0 t60 -79.43 69.97 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -64.47 -27.28 68.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.23 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -47.89 -38.0 15.38 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.383 0.427 . . . . 0.0 111.594 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -152.12 82.12 1.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.103 0.478 . . . . 0.0 110.418 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.342 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -69.63 -139.93 0.12 Allowed Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.781 174.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 173.47 -169.75 42.86 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.652 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.76 120.69 17.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.844 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.06 -2.52 75.65 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.373 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.1 147.63 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -68.14 146.78 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.472 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 19.0 p -151.34 160.37 43.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.963 0.411 . . . . 0.0 111.056 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -116.68 -21.96 8.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.7 p -144.7 166.68 24.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.947 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.78 -21.85 63.38 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.97 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -69.6 -11.28 60.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.605 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.39 -21.41 61.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.436 0.636 . . . . 0.0 109.566 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.516 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 85.1 m -124.28 170.9 10.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.147 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -73.84 160.08 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.747 0.308 . . . . 0.0 110.437 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -53.24 -26.31 17.43 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -167.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.82 -14.54 81.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.556 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -110.16 123.68 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -99.05 145.42 27.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -90.3 135.68 33.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 p -76.1 60.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.557 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 -72.91 2.51 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -159.36 37.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.411 0.624 . . . . 0.0 109.483 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.79 -83.89 1.3 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.395 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -133.2 146.82 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.836 0.35 . . . . 0.0 110.441 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 81.8 m -79.34 117.31 20.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.984 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -105.07 146.39 29.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.863 0.363 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.7 96.47 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 111.457 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -90.16 -45.74 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.057 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.5 mmp_? -120.98 28.97 7.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.626 0.727 . . . . 0.0 110.16 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -133.03 45.16 2.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.388 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.882 -178.235 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.299 0.095 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.667 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -44.59 -84.36 0.02 OUTLIER Glycine 0 CA--C 1.519 0.289 0 O-C-N 124.07 0.856 . . . . 0.0 113.955 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 171.05 13.08 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.658 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.52 5.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 10.77 44.55 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.1 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.35 134.91 34.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 18.4 ptpt -67.13 141.31 57.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.182 0.515 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -143.36 154.82 44.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.254 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -105.82 -29.58 9.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.5 p -133.62 163.94 28.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.983 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -73.06 -15.4 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.98 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.5 m -74.61 -14.65 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.139 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.57 -21.05 66.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.426 0.631 . . . . 0.0 109.831 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.667 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 74.0 m -118.74 165.59 13.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.703 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.32 161.12 20.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -65.76 -18.81 65.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.24 -6.72 86.55 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.702 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 36' ' ' HIS . 11.2 mt -125.87 174.46 8.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -161.27 158.58 27.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.893 0.378 . . . . 0.0 110.294 174.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.14 146.72 24.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.085 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.5 p -79.09 61.46 3.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.283 0.563 . . . . 0.0 109.965 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.8 1.84 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -153.72 35.72 0.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.582 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . -107.82 -84.62 1.67 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.285 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -149.04 140.75 23.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.705 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 78.8 m -69.34 141.15 54.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.831 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -131.0 154.8 47.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.881 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.423 ' HA ' HD23 ' A' ' 26' ' ' LEU . 1.7 p-80 -63.7 114.22 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.64 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 55.8 ttp180 -91.85 -55.32 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.572 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -106.37 -50.91 3.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.65 90.87 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.372 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.096 -176.503 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.555 0.217 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.557 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -149.14 -98.91 0.2 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.48 176.68 23.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.738 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.31 113.9 6.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.42 -16.52 44.8 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.427 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.93 133.14 52.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.441 0.163 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -63.04 133.76 55.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 25.5 p -138.15 158.63 43.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 p -110.33 -27.3 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.903 0.858 . . . . 0.0 108.8 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -146.3 167.87 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.623 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -68.82 -16.06 63.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.445 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 m -70.72 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.916 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.32 -17.98 61.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.975 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 72.5 m -130.29 -176.26 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.278 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 m -73.5 179.21 4.17 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.9 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -67.62 -26.81 66.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.795 0.331 . . . . 0.0 111.265 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.74 -12.85 78.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.306 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 3.1 mm? -115.26 122.96 47.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.918 0.39 . . . . 0.0 110.444 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -106.02 156.43 18.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.6 t -95.07 136.66 35.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.861 0.362 . . . . 0.0 110.426 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -95.45 -178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.58 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.39 -42.37 89.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.468 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -73.83 -17.42 61.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.084 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.49 42.23 2.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.477 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -129.28 127.54 41.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.549 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 98.8 m -61.61 127.33 30.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.806 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -119.25 150.69 39.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.464 ' HB2' ' H ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -78.57 71.96 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.288 0.566 . . . . 0.0 112.135 -174.243 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -55.53 -44.15 76.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.569 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -88.75 15.41 8.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.563 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 36.6 t80 62.21 92.1 0.06 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.865 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 36' ' ' HIS . 9.0 t . . . . . 0 C--O 1.248 1.004 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 96.3 m . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.299 0.095 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.624 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -55.78 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.52 0.398 0 O-C-N 123.748 0.655 . . . . 0.0 113.182 172.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 141.02 -178.88 19.82 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.667 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.65 122.52 18.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.94 0.4 . . . . 0.0 111.165 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.33 86.38 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.504 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -82.61 149.31 27.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.63 136.22 40.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.445 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 p -142.96 147.62 35.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.938 0.399 . . . . 0.0 111.184 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 p -102.45 -35.39 8.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -129.72 157.75 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.011 171.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -71.63 -15.29 62.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.642 0.258 . . . . 0.0 110.546 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -66.3 -16.39 64.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.059 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 11.1 t70 -64.12 -45.46 88.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.855 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.624 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 56.9 m -100.8 167.44 10.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.393 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.6 164.98 25.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -67.43 -6.53 19.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -166.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.34 -22.75 58.21 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.637 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 0.9 OUTLIER -114.07 114.67 26.42 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.528 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 14.2 m95 -101.86 152.76 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.756 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.71 134.59 33.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.369 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 p -81.56 44.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.535 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.73 66.68 2.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.916 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 t 58.99 55.95 4.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.27 -89.35 0.1 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.858 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.3 m80 -135.46 147.41 48.91 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 96.3 m -82.35 115.81 21.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.271 175.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 53.2 p90 -98.7 148.0 24.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.712 0.292 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.62 78.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.344 0.592 . . . . 0.0 111.336 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -59.95 -41.19 91.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.115 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -84.39 23.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.095 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 55.04 39.01 31.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.624 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.706 178.166 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 23.8 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.563 0.22 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.627 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -118.01 -88.99 1.3 Allowed Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.72 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 131.42 177.99 15.21 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 114.64 9.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 110.492 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.42 0.53 65.0 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.251 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -74.83 147.49 41.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.636 0.255 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 52.9 mttp -74.19 129.75 38.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.573 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -145.01 141.14 28.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 t -109.67 -13.0 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 169.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.6 p -140.02 152.42 46.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.112 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 62.3 pttt -74.6 -19.26 60.38 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.686 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -67.61 -15.69 63.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 10.3 t70 -67.19 -43.06 83.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.438 . . . . 0.0 109.925 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.627 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 96.4 m -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.096 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.97 -175.96 2.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.639 0.257 . . . . 0.0 111.571 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -69.31 -25.57 64.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.894 0.378 . . . . 0.0 111.63 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.2 -22.84 64.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.707 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.78 114.18 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -102.7 154.54 19.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.068 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 14.9 t -80.46 127.37 32.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 p -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.994 0.426 . . . . 0.0 111.192 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.47 -15.73 61.66 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.523 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -80.59 -15.76 55.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.013 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 123.02 -2.8 9.85 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.782 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 56.5 m80 -135.85 142.91 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.881 0.341 . . . . 0.0 110.516 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 88.9 m -77.02 146.15 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.036 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.15 174.26 6.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.015 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -77.9 105.8 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -90.89 -42.53 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -101.52 27.02 6.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.967 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 59.45 29.19 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 109.847 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.299 -178.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.924 0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.482 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -164.26 141.31 7.0 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.431 ' C ' ' HG ' ' A' ' 26' ' ' LEU . . . -95.55 -160.86 33.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.806 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 121.57 20.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.93 0.395 . . . . 0.0 110.525 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 0.52 55.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.149 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -73.75 136.98 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 21.5 pttp -72.69 139.52 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -157.24 158.13 35.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 111.977 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -114.92 -33.1 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.022 168.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -122.55 156.8 33.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.9 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -77.01 -16.06 59.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.691 0.281 . . . . 0.0 111.34 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -75.51 -11.3 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.153 0.501 . . . . 0.0 110.244 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.91 -37.27 72.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.51 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.482 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.4 m -97.51 176.88 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.749 176.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.57 168.69 19.06 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.588 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.2 m -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -15.33 73.79 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.167 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 2.3 mm? -108.66 112.36 24.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.4 m95 -96.07 145.32 25.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.007 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -86.07 119.46 26.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.895 0.379 . . . . 0.0 111.093 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -83.15 155.67 23.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.697 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.22 -12.51 55.58 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.356 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 m -82.23 13.83 3.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.035 0.445 . . . . 0.0 110.776 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 75.5 18.38 79.85 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.747 172.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 34.8 m80 -139.4 139.96 37.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.989 0.395 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 71.6 m -80.42 144.88 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.006 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -127.62 153.86 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.054 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -80.49 73.54 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 112.06 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -67.56 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.806 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -81.64 -8.6 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.216 0.531 . . . . 0.0 110.646 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 56.33 48.62 16.74 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.708 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.175 179.563 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.065 0.46 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -143.46 124.07 2.21 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -172.6 43.35 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.761 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 132.02 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.652 -0.323 . . . . 0.0 110.418 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 0.44 74.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.549 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.66 142.75 40.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -77.73 137.37 38.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.28 0.562 . . . . 0.0 110.23 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 18' ' ' THR . 8.0 p -143.26 143.64 31.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.393 -171.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -94.6 -33.82 12.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 53.0 p -138.47 179.41 6.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.478 173.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -68.84 -23.12 64.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -74.35 -7.07 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.391 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 -9.98 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.366 0.603 . . . . 0.0 109.775 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.454 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 76.8 m -129.07 -168.09 1.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 177.96 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.439 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -71.41 -20.65 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.77 -23.49 55.71 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.236 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -107.41 111.67 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -98.73 137.15 37.76 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -79.19 130.1 35.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.481 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.4 77.13 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.148 0.499 . . . . 0.0 109.874 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.14 -80.73 1.48 Allowed Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.066 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -162.16 42.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.447 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.36 -85.9 0.53 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.299 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -130.38 153.05 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.1 m -88.12 147.41 24.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.289 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -125.13 154.97 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.521 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' HB2' ' H ' ' A' ' 40' ' ' THR . 0.7 OUTLIER -83.6 75.26 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.806 0.812 . . . . 0.0 112.265 -174.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -54.64 -51.43 65.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.155 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -86.24 29.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.973 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 58.62 50.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.247 0.546 . . . . 0.0 111.434 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.554 ' H ' ' HB2' ' A' ' 36' ' ' HIS . 8.6 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.264 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.914 0.388 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.645 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -63.97 -103.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.609 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 133.78 -179.19 17.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.095 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.98 116.91 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.39 6.26 68.68 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.411 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.36 135.21 33.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -57.83 139.95 52.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -141.25 154.36 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -106.05 -36.31 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -133.37 176.54 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.774 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -76.82 -15.65 59.66 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.646 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -75.99 -4.1 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.877 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -82.97 -2.85 56.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.339 0.59 . . . . 0.0 109.966 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 72.7 m -135.62 161.48 35.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.1 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 151.35 47.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -55.95 97.18 0.02 OUTLIER 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.713 0.633 . . . . 0.0 110.742 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.93 -39.07 0.56 Allowed Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 36' ' ' HIS . 1.4 mm? -99.53 111.17 23.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 21.0 m95 -97.31 148.37 23.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -86.86 120.68 28.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -74.7 88.72 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.33 -87.51 0.5 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.541 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 p -158.92 28.46 0.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.127 0.489 . . . . 0.0 109.987 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.6 -84.87 1.83 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.314 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -139.18 145.32 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 92.6 m -67.23 141.48 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.436 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -113.89 149.41 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.799 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.26 68.01 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.313 0.578 . . . . 0.0 111.964 -174.127 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 4.4 tmm_? -60.78 -57.63 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.89 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.153 178.844 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.3 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.979 0.418 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.532 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -144.08 132.64 4.95 Favored Glycine 0 N--CA 1.438 -1.192 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD13 ' A' ' 26' ' ' LEU . . . -84.66 -179.86 51.35 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.896 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.59 119.35 9.04 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.32 -9.64 42.34 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.437 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -72.38 137.83 46.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.582 0.229 . . . . 0.0 110.738 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.57 139.3 51.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.044 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.6 p -152.21 140.16 20.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.946 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.1 m -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 171.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -128.25 154.03 46.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.734 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -85.45 -15.42 42.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -73.22 -6.31 45.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.181 0.515 . . . . 0.0 110.193 173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 12.0 t70 -70.6 -40.87 72.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.764 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.532 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.6 m -92.88 169.12 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.5 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.21 152.37 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.086 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -55.38 112.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.021 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 38' ' ' ARG . . . 125.35 -28.56 5.02 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA2' ' A' ' 11' ' ' GLY . 25.1 mt -110.4 110.9 21.84 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 41.0 m95 -113.03 155.81 24.18 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -171.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.58 149.52 26.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.489 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 p -84.04 40.53 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.515 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.24 69.28 1.42 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.829 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.3 m 59.3 59.91 2.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.657 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.78 -101.76 0.26 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.047 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 48.3 m-70 -135.2 135.76 41.26 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 95.2 m -67.28 154.73 40.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.353 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -145.93 169.04 19.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.313 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -71.87 80.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.459 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -82.5 -61.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 72.7 ttt180 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.118 0.485 . . . . 0.0 110.231 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.689 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -66.95 -110.15 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.376 171.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 140.17 -172.04 23.64 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.22 116.99 14.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.218 0.509 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.55 10.22 68.02 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.126 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -86.64 141.79 28.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -70.29 138.06 51.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.408 179.46 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 p -146.61 155.59 42.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.269 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -113.52 -30.32 6.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.0 p -132.56 175.53 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.156 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -73.93 -21.37 60.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.085 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -68.47 -16.35 63.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.265 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.28 -11.96 61.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.103 0.478 . . . . 0.0 110.218 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 89.2 m -131.12 158.36 40.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.69 156.37 39.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -58.55 102.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.516 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.54 1.89 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -100.51 114.48 28.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.432 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 28.5 m95 -104.03 144.18 31.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.0 t -80.26 115.35 19.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.802 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -82.43 161.89 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.46 -5.98 32.2 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.303 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 p -83.96 -4.34 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 84.13 24.07 49.53 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.881 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 43.9 m80 -134.37 137.11 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 76.4 m -77.79 141.32 39.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.7 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -124.46 156.42 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 5.0 t60 -79.43 69.97 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -64.47 -27.28 68.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.23 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.465 0.279 0 O-C-N 123.383 0.427 . . . . 0.0 111.594 177.902 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -69.63 -139.93 0.12 Allowed Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.781 174.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 173.47 -169.75 42.86 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.652 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.76 120.69 17.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.844 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.06 -2.52 75.65 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.373 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.1 147.63 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -68.14 146.78 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 19.0 p -151.34 160.37 43.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.963 0.411 . . . . 0.0 111.056 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -116.68 -21.96 8.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.7 p -144.7 166.68 24.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.947 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.78 -21.85 63.38 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.97 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -69.6 -11.28 60.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.605 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.39 -21.41 61.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.436 0.636 . . . . 0.0 109.566 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.598 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 85.1 m -124.28 170.9 10.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.147 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -73.84 160.08 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.747 0.308 . . . . 0.0 110.437 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -53.24 -26.31 17.43 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -167.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.82 -14.54 81.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.556 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -110.16 123.68 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -99.05 145.42 27.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -90.3 135.68 33.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 p -76.1 60.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.557 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 -72.91 2.51 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -159.36 37.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.411 0.624 . . . . 0.0 109.483 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.79 -83.89 1.3 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.395 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -133.2 146.82 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.836 0.35 . . . . 0.0 110.441 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.587 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 81.8 m -79.34 117.31 20.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.984 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -105.07 146.39 29.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.863 0.363 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.7 96.47 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 111.457 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -90.16 -45.74 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.057 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.534 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.5 mmp_? . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.626 0.727 . . . . 0.0 110.16 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.299 0.095 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.654 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -44.59 -84.36 0.02 OUTLIER Glycine 0 CA--C 1.519 0.289 0 O-C-N 124.07 0.856 . . . . 0.0 113.955 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 171.05 13.08 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.658 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.52 5.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 10.77 44.55 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.1 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.35 134.91 34.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 18.4 ptpt -67.13 141.31 57.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.182 0.515 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -143.36 154.82 44.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.254 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -105.82 -29.58 9.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.5 p -133.62 163.94 28.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.983 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -73.06 -15.4 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.98 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.5 m -74.61 -14.65 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.139 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.57 -21.05 66.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.426 0.631 . . . . 0.0 109.831 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.654 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 74.0 m -118.74 165.59 13.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.703 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.32 161.12 20.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -65.76 -18.81 65.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.24 -6.72 86.55 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.702 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 36' ' ' HIS . 11.2 mt -125.87 174.46 8.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -161.27 158.58 27.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.893 0.378 . . . . 0.0 110.294 174.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.14 146.72 24.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.085 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.5 p -79.09 61.46 3.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.283 0.563 . . . . 0.0 109.965 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.8 1.84 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -153.72 35.72 0.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.582 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . -107.82 -84.62 1.67 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.285 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -149.04 140.75 23.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.705 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 78.8 m -69.34 141.15 54.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.831 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -131.0 154.8 47.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.881 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.488 ' HA ' HD23 ' A' ' 26' ' ' LEU . 2.3 p80 -63.7 114.22 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.645 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 55.8 ttp180 -91.85 -55.32 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.572 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 -178.212 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.555 0.217 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.579 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -149.14 -98.91 0.2 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 150.48 176.68 23.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.738 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.31 113.9 6.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.42 -16.52 44.8 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.427 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.93 133.14 52.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.441 0.163 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -63.04 133.76 55.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 25.5 p -138.15 158.63 43.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 p -110.33 -27.3 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.903 0.858 . . . . 0.0 108.8 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -146.3 167.87 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.623 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -68.82 -16.06 63.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.445 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 m -70.72 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.916 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.32 -17.98 61.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.975 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.579 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 72.5 m -130.29 -176.26 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.278 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 m -73.5 179.21 4.17 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.9 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -67.62 -26.81 66.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.795 0.331 . . . . 0.0 111.265 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.74 -12.85 78.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.306 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 3.1 mm? -115.26 122.96 47.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.918 0.39 . . . . 0.0 110.444 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -106.02 156.43 18.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.6 t -95.07 136.66 35.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.861 0.362 . . . . 0.0 110.426 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -95.45 -178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.58 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.39 -42.37 89.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.468 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -73.83 -17.42 61.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.084 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.49 42.23 2.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.477 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -129.28 127.54 41.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 98.8 m -61.61 127.33 30.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.806 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -119.25 150.69 39.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.462 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -78.57 71.96 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.288 0.566 . . . . 0.0 112.135 -174.243 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -55.53 -44.15 76.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.569 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.563 -176.746 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 96.3 m . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.299 0.095 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -55.78 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.52 0.398 0 O-C-N 123.748 0.655 . . . . 0.0 113.182 172.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 141.02 -178.88 19.82 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.667 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.65 122.52 18.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.94 0.4 . . . . 0.0 111.165 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.33 86.38 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.504 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -82.61 149.31 27.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.63 136.22 40.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.445 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 p -142.96 147.62 35.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.938 0.399 . . . . 0.0 111.184 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 p -102.45 -35.39 8.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -129.72 157.75 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.011 171.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -71.63 -15.29 62.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.642 0.258 . . . . 0.0 110.546 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -66.3 -16.39 64.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.059 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 11.1 t70 -64.12 -45.46 88.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.855 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.606 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 56.9 m -100.8 167.44 10.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.393 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.6 164.98 25.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -67.43 -6.53 19.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -166.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.34 -22.75 58.21 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.637 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 0.9 OUTLIER -114.07 114.67 26.42 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 14.2 m95 -101.86 152.76 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.756 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.71 134.59 33.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.369 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 p -81.56 44.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.535 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.73 66.68 2.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.916 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 t 58.99 55.95 4.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.27 -89.35 0.1 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.858 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.3 m80 -135.46 147.41 48.91 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 96.3 m -82.35 115.81 21.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.271 175.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 53.2 p90 -98.7 148.0 24.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.712 0.292 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 78.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.344 0.592 . . . . 0.0 111.336 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -59.95 -41.19 91.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.115 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.095 -178.915 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 23.8 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.563 0.22 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.618 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -118.01 -88.99 1.3 Allowed Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.72 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 131.42 177.99 15.21 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 114.64 9.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 110.492 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.42 0.53 65.0 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.251 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -74.83 147.49 41.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.636 0.255 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 52.9 mttp -74.19 129.75 38.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.573 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -145.01 141.14 28.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 t -109.67 -13.0 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 169.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.6 p -140.02 152.42 46.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.112 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 62.3 pttt -74.6 -19.26 60.38 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.686 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -67.61 -15.69 63.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 10.3 t70 -67.19 -43.06 83.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.438 . . . . 0.0 109.925 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.618 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 96.4 m -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.096 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.97 -175.96 2.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.639 0.257 . . . . 0.0 111.571 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -69.31 -25.57 64.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.894 0.378 . . . . 0.0 111.63 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.2 -22.84 64.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.707 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.78 114.18 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -102.7 154.54 19.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.068 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 14.9 t -80.46 127.37 32.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 p -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.994 0.426 . . . . 0.0 111.192 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.47 -15.73 61.66 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.523 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -80.59 -15.76 55.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.013 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 123.02 -2.8 9.85 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.782 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 56.5 m80 -135.85 142.91 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.881 0.341 . . . . 0.0 110.516 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 88.9 m -77.02 146.15 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.036 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.15 174.26 6.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.015 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -77.9 105.8 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -90.89 -42.53 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.967 -179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.924 0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.496 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -164.26 141.31 7.0 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' HG ' ' A' ' 26' ' ' LEU . . . -95.55 -160.86 33.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.806 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 121.57 20.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.93 0.395 . . . . 0.0 110.525 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 0.52 55.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.149 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -73.75 136.98 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 21.5 pttp -72.69 139.52 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -157.24 158.13 35.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 111.977 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -114.92 -33.1 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.022 168.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -122.55 156.8 33.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.9 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 22.7 pttm -77.01 -16.06 59.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.691 0.281 . . . . 0.0 111.34 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -75.51 -11.3 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.153 0.501 . . . . 0.0 110.244 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.91 -37.27 72.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.51 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.496 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.4 m -97.51 176.88 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.749 176.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.57 168.69 19.06 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.588 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.2 m -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -15.33 73.79 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.167 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 2.3 mm? -108.66 112.36 24.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.4 m95 -96.07 145.32 25.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.007 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 42.2 t -86.07 119.46 26.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.895 0.379 . . . . 0.0 111.093 -174.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -83.15 155.67 23.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.697 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.22 -12.51 55.58 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.356 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 m -82.23 13.83 3.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.035 0.445 . . . . 0.0 110.776 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 75.5 18.38 79.85 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.747 172.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 34.8 m80 -139.4 139.96 37.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.989 0.395 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 71.6 m -80.42 144.88 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.006 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -127.62 153.86 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.054 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -80.49 73.54 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 112.06 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -67.56 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.806 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.216 0.531 . . . . 0.0 110.646 178.087 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.065 0.46 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -143.46 124.07 2.21 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -172.6 43.35 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.761 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 132.02 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.652 -0.323 . . . . 0.0 110.418 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 0.44 74.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.549 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.66 142.75 40.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -77.73 137.37 38.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.28 0.562 . . . . 0.0 110.23 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 18' ' ' THR . 8.0 p -143.26 143.64 31.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.393 -171.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -94.6 -33.82 12.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 53.0 p -138.47 179.41 6.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.478 173.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -68.84 -23.12 64.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -74.35 -7.07 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.391 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 -9.98 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.366 0.603 . . . . 0.0 109.775 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 76.8 m -129.07 -168.09 1.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 177.96 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.439 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -71.41 -20.65 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.77 -23.49 55.71 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.236 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 36' ' ' HIS . 2.4 mm? -107.41 111.67 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -98.73 137.15 37.76 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -79.19 130.1 35.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.481 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.4 77.13 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.148 0.499 . . . . 0.0 109.874 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.14 -80.73 1.48 Allowed Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.066 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -162.16 42.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.447 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.36 -85.9 0.53 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.299 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -130.38 153.05 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 92.1 m -88.12 147.41 24.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.289 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -125.13 154.97 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.521 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -83.6 75.26 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.806 0.812 . . . . 0.0 112.265 -174.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -54.64 -51.43 65.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.155 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.973 -176.837 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.914 0.388 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.645 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -63.97 -103.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.609 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 133.78 -179.19 17.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.095 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.98 116.91 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.39 6.26 68.68 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.411 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.36 135.21 33.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -57.83 139.95 52.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -141.25 154.36 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -106.05 -36.31 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -133.37 176.54 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.774 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -76.82 -15.65 59.66 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.646 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -75.99 -4.1 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.877 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -82.97 -2.85 56.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.339 0.59 . . . . 0.0 109.966 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.645 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 72.7 m -135.62 161.48 35.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.1 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 151.35 47.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -55.95 97.18 0.02 OUTLIER 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.713 0.633 . . . . 0.0 110.742 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.93 -39.07 0.56 Allowed Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 36' ' ' HIS . 1.4 mm? -99.53 111.17 23.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 21.0 m95 -97.31 148.37 23.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -86.86 120.68 28.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -74.7 88.72 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.33 -87.51 0.5 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.541 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 p -158.92 28.46 0.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.127 0.489 . . . . 0.0 109.987 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.6 -84.87 1.83 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.314 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -139.18 145.32 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 92.6 m -67.23 141.48 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.436 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -113.89 149.41 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.799 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -80.26 68.01 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.313 0.578 . . . . 0.0 111.964 -174.127 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 4.4 tmm_? -60.78 -57.63 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.89 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 30.4 ttt180 -79.37 -0.59 33.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.153 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 36' ' ' HIS . 96.3 m-85 72.84 -60.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.695 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.31 -1.123 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.743 175.04 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.3 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.979 0.418 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.532 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -144.08 132.64 4.95 Favored Glycine 0 N--CA 1.438 -1.192 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD13 ' A' ' 26' ' ' LEU . . . -84.66 -179.86 51.35 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.896 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.59 119.35 9.04 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.32 -9.64 42.34 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.437 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -72.38 137.83 46.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.582 0.229 . . . . 0.0 110.738 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.57 139.3 51.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.044 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.6 p -152.21 140.16 20.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.946 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.1 m -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 171.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -128.25 154.03 46.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.734 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -85.45 -15.42 42.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -73.22 -6.31 45.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.181 0.515 . . . . 0.0 110.193 173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 12.0 t70 -70.6 -40.87 72.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.764 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.532 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.6 m -92.88 169.12 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.5 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.21 152.37 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.086 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -55.38 112.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.021 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 38' ' ' ARG . . . 125.35 -28.56 5.02 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA2' ' A' ' 11' ' ' GLY . 25.1 mt -110.4 110.9 21.84 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 41.0 m95 -113.03 155.81 24.18 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -171.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.58 149.52 26.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.489 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 p -84.04 40.53 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.515 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.24 69.28 1.42 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.829 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.3 m 59.3 59.91 2.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.657 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.78 -101.76 0.26 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.047 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 48.3 m-70 -135.2 135.76 41.26 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 95.2 m -67.28 154.73 40.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.353 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -145.93 169.04 19.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.313 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -71.87 80.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.459 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -82.5 -61.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 72.7 ttt180 -109.13 -37.84 5.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.118 0.485 . . . . 0.0 110.231 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -88.33 108.81 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.817 -177.792 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.689 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -66.95 -110.15 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.376 171.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 140.17 -172.04 23.64 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.22 116.99 14.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.218 0.509 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.55 10.22 68.02 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.126 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -86.64 141.79 28.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -70.29 138.06 51.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.408 179.46 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 p -146.61 155.59 42.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.269 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -113.52 -30.32 6.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.0 p -132.56 175.53 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.156 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -73.93 -21.37 60.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.085 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -68.47 -16.35 63.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.265 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.28 -11.96 61.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.103 0.478 . . . . 0.0 110.218 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 89.2 m -131.12 158.36 40.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.69 156.37 39.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -58.55 102.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.516 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.54 1.89 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -100.51 114.48 28.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.432 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 28.5 m95 -104.03 144.18 31.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.0 t -80.26 115.35 19.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.802 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -82.43 161.89 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.46 -5.98 32.2 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.303 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 p -83.96 -4.34 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 84.13 24.07 49.53 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.881 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 43.9 m80 -134.37 137.11 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 76.4 m -77.79 141.32 39.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.7 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -124.46 156.42 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 5.0 t60 -79.43 69.97 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -64.47 -27.28 68.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.23 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -47.89 -38.0 15.38 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.383 0.427 . . . . 0.0 111.594 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -152.12 82.12 1.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.103 0.478 . . . . 0.0 110.418 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.342 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -69.63 -139.93 0.12 Allowed Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.781 174.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 173.47 -169.75 42.86 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.652 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.76 120.69 17.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.844 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.06 -2.52 75.65 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.373 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.1 147.63 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -68.14 146.78 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 19.0 p -151.34 160.37 43.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.963 0.411 . . . . 0.0 111.056 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -116.68 -21.96 8.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.7 p -144.7 166.68 24.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.947 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.78 -21.85 63.38 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.97 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -69.6 -11.28 60.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.605 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.39 -21.41 61.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.436 0.636 . . . . 0.0 109.566 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.598 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 85.1 m -124.28 170.9 10.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.147 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -73.84 160.08 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.747 0.308 . . . . 0.0 110.437 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -53.24 -26.31 17.43 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -167.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.82 -14.54 81.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.556 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -110.16 123.68 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -99.05 145.42 27.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -90.3 135.68 33.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 p -76.1 60.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.557 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 -72.91 2.51 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -159.36 37.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.411 0.624 . . . . 0.0 109.483 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.79 -83.89 1.3 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.395 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -133.2 146.82 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.836 0.35 . . . . 0.0 110.441 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.587 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 81.8 m -79.34 117.31 20.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.984 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -105.07 146.39 29.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.863 0.363 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.7 96.47 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 111.457 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -90.16 -45.74 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.057 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.534 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.5 mmp_? -120.98 28.97 7.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.626 0.727 . . . . 0.0 110.16 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -133.03 45.16 2.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.388 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.882 -178.235 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.299 0.095 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.654 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -44.59 -84.36 0.02 OUTLIER Glycine 0 CA--C 1.519 0.289 0 O-C-N 124.07 0.856 . . . . 0.0 113.955 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 171.05 13.08 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.658 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.52 5.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 10.77 44.55 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.1 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.35 134.91 34.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 18.4 ptpt -67.13 141.31 57.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.182 0.515 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -143.36 154.82 44.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.254 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -105.82 -29.58 9.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.5 p -133.62 163.94 28.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.983 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -73.06 -15.4 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.98 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.5 m -74.61 -14.65 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.139 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.57 -21.05 66.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.426 0.631 . . . . 0.0 109.831 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.654 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 74.0 m -118.74 165.59 13.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.703 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.32 161.12 20.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -65.76 -18.81 65.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.24 -6.72 86.55 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.702 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 36' ' ' HIS . 11.2 mt -125.87 174.46 8.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -161.27 158.58 27.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.893 0.378 . . . . 0.0 110.294 174.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.14 146.72 24.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.085 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.5 p -79.09 61.46 3.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.283 0.563 . . . . 0.0 109.965 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.8 1.84 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -153.72 35.72 0.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.582 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . -107.82 -84.62 1.67 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.285 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -149.04 140.75 23.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.705 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 78.8 m -69.34 141.15 54.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.831 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -131.0 154.8 47.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.881 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.488 ' HA ' HD23 ' A' ' 26' ' ' LEU . 2.3 p80 -63.7 114.22 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.645 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 55.8 ttp180 -91.85 -55.32 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.572 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -106.37 -50.91 3.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.65 90.87 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.372 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.096 -176.503 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.555 0.217 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.579 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -149.14 -98.91 0.2 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 150.48 176.68 23.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.738 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.31 113.9 6.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.42 -16.52 44.8 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.427 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.93 133.14 52.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.441 0.163 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -63.04 133.76 55.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 25.5 p -138.15 158.63 43.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 p -110.33 -27.3 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.903 0.858 . . . . 0.0 108.8 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -146.3 167.87 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.623 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -68.82 -16.06 63.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.445 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 m -70.72 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.916 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.32 -17.98 61.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.975 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.579 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 72.5 m -130.29 -176.26 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.278 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 m -73.5 179.21 4.17 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.9 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -67.62 -26.81 66.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.795 0.331 . . . . 0.0 111.265 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.74 -12.85 78.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.306 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 3.1 mm? -115.26 122.96 47.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.918 0.39 . . . . 0.0 110.444 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -106.02 156.43 18.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.6 t -95.07 136.66 35.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.861 0.362 . . . . 0.0 110.426 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -95.45 -178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.58 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.39 -42.37 89.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.468 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -73.83 -17.42 61.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.084 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.49 42.23 2.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.477 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -129.28 127.54 41.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 98.8 m -61.61 127.33 30.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.806 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -119.25 150.69 39.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.506 ' HB2' ' H ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -78.57 71.96 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.288 0.566 . . . . 0.0 112.135 -174.243 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -55.53 -44.15 76.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.569 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -88.75 15.41 8.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.563 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 36.6 t80 62.21 92.1 0.06 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.865 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.506 ' H ' ' HB2' ' A' ' 36' ' ' HIS . 9.0 t . . . . . 0 C--O 1.248 1.004 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 96.3 m . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.299 0.095 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -55.78 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.52 0.398 0 O-C-N 123.748 0.655 . . . . 0.0 113.182 172.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 141.02 -178.88 19.82 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.667 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.65 122.52 18.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.94 0.4 . . . . 0.0 111.165 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.33 86.38 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.504 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -82.61 149.31 27.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.63 136.22 40.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.445 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 p -142.96 147.62 35.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.938 0.399 . . . . 0.0 111.184 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 p -102.45 -35.39 8.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -129.72 157.75 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.011 171.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -71.63 -15.29 62.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.642 0.258 . . . . 0.0 110.546 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -66.3 -16.39 64.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.059 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 11.1 t70 -64.12 -45.46 88.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.855 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.606 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 56.9 m -100.8 167.44 10.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.393 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.6 164.98 25.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -67.43 -6.53 19.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -166.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.34 -22.75 58.21 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.637 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 0.9 OUTLIER -114.07 114.67 26.42 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 14.2 m95 -101.86 152.76 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.756 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.71 134.59 33.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.369 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 p -81.56 44.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.535 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.73 66.68 2.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.916 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 t 58.99 55.95 4.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.27 -89.35 0.1 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.858 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.3 m80 -135.46 147.41 48.91 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 96.3 m -82.35 115.81 21.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.271 175.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 53.2 p90 -98.7 148.0 24.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.712 0.292 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.62 78.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.344 0.592 . . . . 0.0 111.336 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -59.95 -41.19 91.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.115 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -84.39 23.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.095 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 55.04 39.01 31.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.624 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.706 178.166 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 23.8 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.563 0.22 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.618 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -118.01 -88.99 1.3 Allowed Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.72 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 131.42 177.99 15.21 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 114.64 9.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 110.492 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.42 0.53 65.0 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.251 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -74.83 147.49 41.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.636 0.255 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 52.9 mttp -74.19 129.75 38.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.573 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -145.01 141.14 28.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 t -109.67 -13.0 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 169.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.6 p -140.02 152.42 46.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.112 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 62.3 pttt -74.6 -19.26 60.38 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.686 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -67.61 -15.69 63.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 10.3 t70 -67.19 -43.06 83.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.438 . . . . 0.0 109.925 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.618 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 96.4 m -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.096 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.97 -175.96 2.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.639 0.257 . . . . 0.0 111.571 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -69.31 -25.57 64.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.894 0.378 . . . . 0.0 111.63 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.2 -22.84 64.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.707 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.78 114.18 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -102.7 154.54 19.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.068 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 14.9 t -80.46 127.37 32.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 p -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.994 0.426 . . . . 0.0 111.192 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.47 -15.73 61.66 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.523 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -80.59 -15.76 55.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.013 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 123.02 -2.8 9.85 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.782 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 56.5 m80 -135.85 142.91 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.881 0.341 . . . . 0.0 110.516 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 88.9 m -77.02 146.15 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.036 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.15 174.26 6.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.015 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -77.9 105.8 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -90.89 -42.53 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -101.52 27.02 6.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.967 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 59.45 29.19 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 109.847 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.299 -178.826 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.924 0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -164.26 141.31 7.0 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' HG ' ' A' ' 26' ' ' LEU . . . -95.55 -160.86 33.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.806 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 121.57 20.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.93 0.395 . . . . 0.0 110.525 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 0.52 55.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.149 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -73.75 136.98 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 21.5 pttp -72.69 139.52 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -157.24 158.13 35.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 111.977 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -114.92 -33.1 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.022 168.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -122.55 156.8 33.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.9 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 22.7 pttm -77.01 -16.06 59.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.691 0.281 . . . . 0.0 111.34 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -75.51 -11.3 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.153 0.501 . . . . 0.0 110.244 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.91 -37.27 72.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.51 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.496 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.4 m -97.51 176.88 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.749 176.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.57 168.69 19.06 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.588 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.2 m -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -15.33 73.79 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.167 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 2.3 mm? -108.66 112.36 24.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.4 m95 -96.07 145.32 25.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.007 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 42.2 t -86.07 119.46 26.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.895 0.379 . . . . 0.0 111.093 -174.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -83.15 155.67 23.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.697 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.22 -12.51 55.58 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.356 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 m -82.23 13.83 3.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.035 0.445 . . . . 0.0 110.776 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 75.5 18.38 79.85 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.747 172.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 34.8 m80 -139.4 139.96 37.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.989 0.395 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 71.6 m -80.42 144.88 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.006 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -127.62 153.86 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.054 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -80.49 73.54 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 112.06 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -67.56 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.806 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -81.64 -8.6 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.216 0.531 . . . . 0.0 110.646 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 56.33 48.62 16.74 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.708 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.175 179.563 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.065 0.46 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -143.46 124.07 2.21 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -172.6 43.35 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.761 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 132.02 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.652 -0.323 . . . . 0.0 110.418 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 0.44 74.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.549 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.66 142.75 40.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -77.73 137.37 38.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.28 0.562 . . . . 0.0 110.23 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 18' ' ' THR . 8.0 p -143.26 143.64 31.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.393 -171.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -94.6 -33.82 12.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 53.0 p -138.47 179.41 6.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.478 173.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -68.84 -23.12 64.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -74.35 -7.07 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.391 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 -9.98 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.366 0.603 . . . . 0.0 109.775 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 76.8 m -129.07 -168.09 1.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 177.96 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.439 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -71.41 -20.65 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.77 -23.49 55.71 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.236 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 36' ' ' HIS . 2.4 mm? -107.41 111.67 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -98.73 137.15 37.76 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -79.19 130.1 35.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.481 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.4 77.13 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.148 0.499 . . . . 0.0 109.874 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.14 -80.73 1.48 Allowed Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.066 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -162.16 42.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.447 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.36 -85.9 0.53 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.299 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -130.38 153.05 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 92.1 m -88.12 147.41 24.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.289 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -125.13 154.97 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.521 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.632 ' HB2' ' H ' ' A' ' 40' ' ' THR . 0.7 OUTLIER -83.6 75.26 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.806 0.812 . . . . 0.0 112.265 -174.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -54.64 -51.43 65.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.155 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -86.24 29.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.973 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 58.62 50.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.247 0.546 . . . . 0.0 111.434 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.632 ' H ' ' HB2' ' A' ' 36' ' ' HIS . 8.6 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.264 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.914 0.388 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.645 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -63.97 -103.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.609 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 133.78 -179.19 17.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.095 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.98 116.91 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.39 6.26 68.68 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.411 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.36 135.21 33.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -57.83 139.95 52.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -141.25 154.36 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -106.05 -36.31 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -133.37 176.54 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.774 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -76.82 -15.65 59.66 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.646 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -75.99 -4.1 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.877 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -82.97 -2.85 56.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.339 0.59 . . . . 0.0 109.966 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.645 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 72.7 m -135.62 161.48 35.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.1 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 151.35 47.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -55.95 97.18 0.02 OUTLIER 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.713 0.633 . . . . 0.0 110.742 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.93 -39.07 0.56 Allowed Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 36' ' ' HIS . 1.4 mm? -99.53 111.17 23.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 21.0 m95 -97.31 148.37 23.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -86.86 120.68 28.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -74.7 88.72 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.33 -87.51 0.5 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.541 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 p -158.92 28.46 0.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.127 0.489 . . . . 0.0 109.987 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.6 -84.87 1.83 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.314 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -139.18 145.32 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 92.6 m -67.23 141.48 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.436 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -113.89 149.41 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.799 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.26 68.01 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.313 0.578 . . . . 0.0 111.964 -174.127 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 4.4 tmm_? -60.78 -57.63 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.89 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.153 178.844 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.3 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.979 0.418 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.532 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -144.08 132.64 4.95 Favored Glycine 0 N--CA 1.438 -1.192 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD13 ' A' ' 26' ' ' LEU . . . -84.66 -179.86 51.35 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.896 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.59 119.35 9.04 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.32 -9.64 42.34 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.437 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -72.38 137.83 46.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.582 0.229 . . . . 0.0 110.738 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.57 139.3 51.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.044 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.6 p -152.21 140.16 20.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.946 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.1 m -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 171.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -128.25 154.03 46.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.734 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -85.45 -15.42 42.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -73.22 -6.31 45.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.181 0.515 . . . . 0.0 110.193 173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 12.0 t70 -70.6 -40.87 72.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.764 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.532 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.6 m -92.88 169.12 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.5 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.21 152.37 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.086 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -55.38 112.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.021 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 38' ' ' ARG . . . 125.35 -28.56 5.02 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA2' ' A' ' 11' ' ' GLY . 25.1 mt -110.4 110.9 21.84 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 41.0 m95 -113.03 155.81 24.18 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -171.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.58 149.52 26.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.489 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 p -84.04 40.53 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.515 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.24 69.28 1.42 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.829 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.3 m 59.3 59.91 2.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.657 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.78 -101.76 0.26 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.047 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 48.3 m-70 -135.2 135.76 41.26 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 95.2 m -67.28 154.73 40.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.353 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -145.93 169.04 19.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.313 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -71.87 80.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.459 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -82.5 -61.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 72.7 ttt180 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.118 0.485 . . . . 0.0 110.231 177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.689 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -66.95 -110.15 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.376 171.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 140.17 -172.04 23.64 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.22 116.99 14.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.218 0.509 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.55 10.22 68.02 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.126 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -86.64 141.79 28.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -70.29 138.06 51.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.408 179.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 p -146.61 155.59 42.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.269 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -113.52 -30.32 6.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.0 p -132.56 175.53 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.156 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -73.93 -21.37 60.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.085 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -68.47 -16.35 63.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.265 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.28 -11.96 61.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.103 0.478 . . . . 0.0 110.218 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 89.2 m -131.12 158.36 40.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.69 156.37 39.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -58.55 102.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.516 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.54 1.89 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -100.51 114.48 28.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.432 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 28.5 m95 -104.03 144.18 31.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.0 t -80.26 115.35 19.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.802 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -82.43 161.89 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.46 -5.98 32.2 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.303 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 p -83.96 -4.34 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 84.13 24.07 49.53 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.881 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 43.9 m80 -134.37 137.11 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 76.4 m -77.79 141.32 39.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.7 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -124.46 156.42 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 5.0 t60 -79.43 69.97 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -64.47 -27.28 68.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.23 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.465 0.279 0 O-C-N 123.383 0.427 . . . . 0.0 111.594 177.902 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -69.63 -139.93 0.12 Allowed Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.781 174.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 173.47 -169.75 42.86 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.652 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.76 120.69 17.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.844 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.06 -2.52 75.65 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.373 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.1 147.63 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -68.14 146.78 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 19.0 p -151.34 160.37 43.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.963 0.411 . . . . 0.0 111.056 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -116.68 -21.96 8.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.7 p -144.7 166.68 24.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.947 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.78 -21.85 63.38 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.97 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -69.6 -11.28 60.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.605 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.39 -21.41 61.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.436 0.636 . . . . 0.0 109.566 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.598 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 85.1 m -124.28 170.9 10.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.147 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -73.84 160.08 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.747 0.308 . . . . 0.0 110.437 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -53.24 -26.31 17.43 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -167.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.82 -14.54 81.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.556 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -110.16 123.68 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -99.05 145.42 27.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -90.3 135.68 33.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 p -76.1 60.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.557 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 -72.91 2.51 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -159.36 37.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.411 0.624 . . . . 0.0 109.483 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.79 -83.89 1.3 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.395 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -133.2 146.82 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.836 0.35 . . . . 0.0 110.441 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.587 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 81.8 m -79.34 117.31 20.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.984 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -105.07 146.39 29.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.863 0.363 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.7 96.47 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 111.457 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -90.16 -45.74 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.057 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.534 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.5 mmp_? . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.626 0.727 . . . . 0.0 110.16 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.299 0.095 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.654 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -44.59 -84.36 0.02 OUTLIER Glycine 0 CA--C 1.519 0.289 0 O-C-N 124.07 0.856 . . . . 0.0 113.955 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 171.05 13.08 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.658 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.52 5.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 10.77 44.55 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.1 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.35 134.91 34.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 18.4 ptpt -67.13 141.31 57.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.182 0.515 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -143.36 154.82 44.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.254 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -105.82 -29.58 9.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.5 p -133.62 163.94 28.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.983 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -73.06 -15.4 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.98 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.5 m -74.61 -14.65 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.139 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.57 -21.05 66.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.426 0.631 . . . . 0.0 109.831 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.654 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 74.0 m -118.74 165.59 13.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.703 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.32 161.12 20.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -65.76 -18.81 65.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.24 -6.72 86.55 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.702 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 36' ' ' HIS . 11.2 mt -125.87 174.46 8.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -161.27 158.58 27.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.893 0.378 . . . . 0.0 110.294 174.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.14 146.72 24.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.085 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.5 p -79.09 61.46 3.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.283 0.563 . . . . 0.0 109.965 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.8 1.84 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -153.72 35.72 0.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.582 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . -107.82 -84.62 1.67 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.285 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -149.04 140.75 23.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.705 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 78.8 m -69.34 141.15 54.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.831 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -131.0 154.8 47.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.881 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.488 ' HA ' HD23 ' A' ' 26' ' ' LEU . 1.7 p-80 -63.7 114.22 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.645 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 55.8 ttp180 -91.85 -55.32 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.572 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 -178.212 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.555 0.217 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.579 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -149.14 -98.91 0.2 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 150.48 176.68 23.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.738 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.31 113.9 6.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.42 -16.52 44.8 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.427 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.93 133.14 52.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.441 0.163 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -63.04 133.76 55.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 25.5 p -138.15 158.63 43.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 p -110.33 -27.3 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.903 0.858 . . . . 0.0 108.8 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -146.3 167.87 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.623 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -68.82 -16.06 63.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.445 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 m -70.72 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.916 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.32 -17.98 61.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.975 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.579 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 72.5 m -130.29 -176.26 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.278 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 m -73.5 179.21 4.17 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.9 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -67.62 -26.81 66.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.795 0.331 . . . . 0.0 111.265 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.74 -12.85 78.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.306 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 3.1 mm? -115.26 122.96 47.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.918 0.39 . . . . 0.0 110.444 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -106.02 156.43 18.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.6 t -95.07 136.66 35.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.861 0.362 . . . . 0.0 110.426 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -95.45 -178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.58 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.39 -42.37 89.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.468 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -73.83 -17.42 61.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.084 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.49 42.23 2.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.477 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -129.28 127.54 41.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 98.8 m -61.61 127.33 30.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.806 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -119.25 150.69 39.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.462 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -78.57 71.96 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.288 0.566 . . . . 0.0 112.135 -174.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -55.53 -44.15 76.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.569 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.563 -176.746 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 96.3 m . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.299 0.095 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -55.78 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.52 0.398 0 O-C-N 123.748 0.655 . . . . 0.0 113.182 172.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 141.02 -178.88 19.82 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.667 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.65 122.52 18.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.94 0.4 . . . . 0.0 111.165 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.33 86.38 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.504 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -82.61 149.31 27.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.63 136.22 40.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.445 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 p -142.96 147.62 35.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.938 0.399 . . . . 0.0 111.184 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 p -102.45 -35.39 8.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -129.72 157.75 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.011 171.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -71.63 -15.29 62.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.642 0.258 . . . . 0.0 110.546 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -66.3 -16.39 64.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.059 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 11.1 t70 -64.12 -45.46 88.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.855 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.606 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 56.9 m -100.8 167.44 10.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.393 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.6 164.98 25.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -67.43 -6.53 19.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -166.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.34 -22.75 58.21 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.637 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 0.9 OUTLIER -114.07 114.67 26.42 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 14.2 m95 -101.86 152.76 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.756 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.71 134.59 33.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.369 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 p -81.56 44.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.535 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.73 66.68 2.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.916 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 t 58.99 55.95 4.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.27 -89.35 0.1 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.858 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.3 m80 -135.46 147.41 48.91 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 96.3 m -82.35 115.81 21.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.271 175.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 53.2 p90 -98.7 148.0 24.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.712 0.292 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.62 78.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.344 0.592 . . . . 0.0 111.336 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -59.95 -41.19 91.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.115 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.095 -178.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 23.8 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.563 0.22 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.618 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -118.01 -88.99 1.3 Allowed Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.72 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 131.42 177.99 15.21 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 114.64 9.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 110.492 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.42 0.53 65.0 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.251 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -74.83 147.49 41.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.636 0.255 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 52.9 mttp -74.19 129.75 38.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.573 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -145.01 141.14 28.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 t -109.67 -13.0 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 169.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.6 p -140.02 152.42 46.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.112 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 62.3 pttt -74.6 -19.26 60.38 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.686 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -67.61 -15.69 63.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 10.3 t70 -67.19 -43.06 83.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.438 . . . . 0.0 109.925 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.618 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 96.4 m -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.096 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.97 -175.96 2.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.639 0.257 . . . . 0.0 111.571 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -69.31 -25.57 64.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.894 0.378 . . . . 0.0 111.63 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.2 -22.84 64.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.707 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.78 114.18 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -102.7 154.54 19.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.068 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 14.9 t -80.46 127.37 32.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 p -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.994 0.426 . . . . 0.0 111.192 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.47 -15.73 61.66 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.523 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -80.59 -15.76 55.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.013 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 123.02 -2.8 9.85 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.782 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 56.5 m80 -135.85 142.91 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.881 0.341 . . . . 0.0 110.516 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 88.9 m -77.02 146.15 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.036 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.15 174.26 6.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.015 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -77.9 105.8 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -90.89 -42.53 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.967 -179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.924 0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.496 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -164.26 141.31 7.0 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' HG ' ' A' ' 26' ' ' LEU . . . -95.55 -160.86 33.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.806 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 121.57 20.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.93 0.395 . . . . 0.0 110.525 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 0.52 55.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.149 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -73.75 136.98 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 21.5 pttp -72.69 139.52 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -157.24 158.13 35.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 111.977 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -114.92 -33.1 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.022 168.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -122.55 156.8 33.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.9 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 22.7 pttm -77.01 -16.06 59.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.691 0.281 . . . . 0.0 111.34 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -75.51 -11.3 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.153 0.501 . . . . 0.0 110.244 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.91 -37.27 72.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.51 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.496 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.4 m -97.51 176.88 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.749 176.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.57 168.69 19.06 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.588 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.2 m -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -15.33 73.79 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.167 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 2.3 mm? -108.66 112.36 24.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.4 m95 -96.07 145.32 25.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.007 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 42.2 t -86.07 119.46 26.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.895 0.379 . . . . 0.0 111.093 -174.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -83.15 155.67 23.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.697 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.22 -12.51 55.58 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.356 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 m -82.23 13.83 3.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.035 0.445 . . . . 0.0 110.776 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 75.5 18.38 79.85 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.747 172.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 34.8 m80 -139.4 139.96 37.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.989 0.395 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 71.6 m -80.42 144.88 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.006 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -127.62 153.86 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.054 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -80.49 73.54 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 112.06 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -67.56 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.806 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.216 0.531 . . . . 0.0 110.646 178.087 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.065 0.46 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -143.46 124.07 2.21 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -172.6 43.35 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.761 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 132.02 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.652 -0.323 . . . . 0.0 110.418 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 0.44 74.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.549 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.66 142.75 40.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -77.73 137.37 38.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.28 0.562 . . . . 0.0 110.23 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 18' ' ' THR . 8.0 p -143.26 143.64 31.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.393 -171.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -94.6 -33.82 12.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 53.0 p -138.47 179.41 6.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.478 173.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -68.84 -23.12 64.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -74.35 -7.07 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.391 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 -9.98 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.366 0.603 . . . . 0.0 109.775 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 76.8 m -129.07 -168.09 1.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 177.96 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.439 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -71.41 -20.65 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.77 -23.49 55.71 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.236 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 36' ' ' HIS . 2.4 mm? -107.41 111.67 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -98.73 137.15 37.76 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -79.19 130.1 35.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.481 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.4 77.13 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.148 0.499 . . . . 0.0 109.874 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.14 -80.73 1.48 Allowed Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.066 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -162.16 42.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.447 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.36 -85.9 0.53 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.299 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -130.38 153.05 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 92.1 m -88.12 147.41 24.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.289 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -125.13 154.97 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.521 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -83.6 75.26 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.806 0.812 . . . . 0.0 112.265 -174.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -54.64 -51.43 65.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.155 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.973 -176.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.914 0.388 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.645 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -63.97 -103.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.609 172.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 133.78 -179.19 17.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.095 177.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.98 116.91 9.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.39 6.26 68.68 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.411 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.36 135.21 33.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -57.83 139.95 52.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -141.25 154.36 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 m -106.05 -36.31 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -133.37 176.54 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.774 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -76.82 -15.65 59.66 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.646 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 m -75.99 -4.1 39.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.877 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -82.97 -2.85 56.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.339 0.59 . . . . 0.0 109.966 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.645 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 72.7 m -135.62 161.48 35.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.1 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 151.35 47.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -55.95 97.18 0.02 OUTLIER 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.713 0.633 . . . . 0.0 110.742 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.93 -39.07 0.56 Allowed Glycine 0 N--CA 1.44 -1.097 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 36' ' ' HIS . 1.4 mm? -99.53 111.17 23.56 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 21.0 m95 -97.31 148.37 23.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.222 -174.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 t -86.86 120.68 28.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.855 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -74.7 88.72 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.33 -87.51 0.5 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.541 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 p -158.92 28.46 0.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.127 0.489 . . . . 0.0 109.987 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.6 -84.87 1.83 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.314 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -139.18 145.32 39.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.985 0.421 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 92.6 m -67.23 141.48 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.436 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -113.89 149.41 35.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.799 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -80.26 68.01 6.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.313 0.578 . . . . 0.0 111.964 -174.127 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 4.4 tmm_? -60.78 -57.63 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.89 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 30.4 ttt180 -79.37 -0.59 33.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.153 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 36' ' ' HIS . 96.3 m-85 72.84 -60.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.695 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.31 -1.123 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.743 175.04 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 27.3 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.979 0.418 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.532 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -144.08 132.64 4.95 Favored Glycine 0 N--CA 1.438 -1.192 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA2' HD13 ' A' ' 26' ' ' LEU . . . -84.66 -179.86 51.35 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.896 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.59 119.35 9.04 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.32 -9.64 42.34 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.437 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -72.38 137.83 46.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.582 0.229 . . . . 0.0 110.738 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.57 139.3 51.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.044 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.6 p -152.21 140.16 20.1 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.946 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.1 m -99.21 -25.3 14.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 171.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -128.25 154.03 46.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.734 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -85.45 -15.42 42.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 m -73.22 -6.31 45.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.181 0.515 . . . . 0.0 110.193 173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 12.0 t70 -70.6 -40.87 72.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.764 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.532 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.6 m -92.88 169.12 10.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.5 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.21 152.37 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.086 -175.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -55.38 112.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.021 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 38' ' ' ARG . . . 125.35 -28.56 5.02 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -176.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 ' HA2' ' A' ' 11' ' ' GLY . 25.1 mt -110.4 110.9 21.84 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.421 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 41.0 m95 -113.03 155.81 24.18 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -171.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 t -83.58 149.52 26.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.489 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 p -84.04 40.53 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.515 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.24 69.28 1.42 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.829 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.3 m 59.3 59.91 2.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.657 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.78 -101.76 0.26 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.047 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 48.3 m-70 -135.2 135.76 41.26 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 95.2 m -67.28 154.73 40.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.353 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -145.93 169.04 19.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.313 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -71.87 80.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.459 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -82.5 -61.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HB3' ' HA2' ' A' ' 25' ' ' GLY . 72.7 ttt180 -109.13 -37.84 5.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.118 0.485 . . . . 0.0 110.231 177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -88.33 108.81 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.817 -177.792 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.689 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -66.95 -110.15 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.376 171.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 140.17 -172.04 23.64 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.22 116.99 14.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.218 0.509 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.55 10.22 68.02 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.126 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -86.64 141.79 28.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -70.29 138.06 51.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 110.408 179.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.1 p -146.61 155.59 42.58 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.269 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 m -113.52 -30.32 6.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.0 p -132.56 175.53 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.156 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -73.93 -21.37 60.07 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.085 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -68.47 -16.35 63.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.265 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.28 -11.96 61.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.103 0.478 . . . . 0.0 110.218 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 89.2 m -131.12 158.36 40.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.69 156.37 39.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.851 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.4 m -58.55 102.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.516 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.54 1.89 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -100.51 114.48 28.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.432 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 28.5 m95 -104.03 144.18 31.9 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.0 t -80.26 115.35 19.76 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.802 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -82.43 161.89 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.46 -5.98 32.2 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.303 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 p -83.96 -4.34 58.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 84.13 24.07 49.53 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.881 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 43.9 m80 -134.37 137.11 43.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 76.4 m -77.79 141.32 39.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.7 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -124.46 156.42 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 5.0 t60 -79.43 69.97 5.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.997 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -64.47 -27.28 68.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.23 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -47.89 -38.0 15.38 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.383 0.427 . . . . 0.0 111.594 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -152.12 82.12 1.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.103 0.478 . . . . 0.0 110.418 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.342 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -69.63 -139.93 0.12 Allowed Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.781 174.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 173.47 -169.75 42.86 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.652 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.76 120.69 17.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 0.0 110.844 -176.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.06 -2.52 75.65 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.373 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.1 147.63 28.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -68.14 146.78 53.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.445 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 19.0 p -151.34 160.37 43.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.963 0.411 . . . . 0.0 111.056 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -116.68 -21.96 8.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 168.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.7 p -144.7 166.68 24.53 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.947 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -69.78 -21.85 63.38 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.97 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -69.6 -11.28 60.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.605 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.39 -21.41 61.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.436 0.636 . . . . 0.0 109.566 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.598 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 85.1 m -124.28 170.9 10.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.147 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.9 m -73.84 160.08 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.747 0.308 . . . . 0.0 110.437 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.0 m -53.24 -26.31 17.43 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -167.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.82 -14.54 81.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.556 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 1.7 mm? -110.16 123.68 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -99.05 145.42 27.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.8 t -90.3 135.68 33.52 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 p -76.1 60.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.333 0.587 . . . . 0.0 110.557 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 -72.91 2.51 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -159.36 37.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.411 0.624 . . . . 0.0 109.483 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.79 -83.89 1.3 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.395 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -133.2 146.82 51.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.836 0.35 . . . . 0.0 110.441 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.587 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 81.8 m -79.34 117.31 20.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.984 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -105.07 146.39 29.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.863 0.363 . . . . 0.0 110.493 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.7 96.47 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 111.457 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -90.16 -45.74 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.057 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.534 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.5 mmp_? -120.98 28.97 7.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.626 0.727 . . . . 0.0 110.16 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -133.03 45.16 2.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.388 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.882 -178.235 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.299 0.095 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.654 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -44.59 -84.36 0.02 OUTLIER Glycine 0 CA--C 1.519 0.289 0 O-C-N 124.07 0.856 . . . . 0.0 113.955 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.1 171.05 13.08 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.658 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.52 5.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 10.77 44.55 Favored Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.1 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.35 134.91 34.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 18.4 ptpt -67.13 141.31 57.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.182 0.515 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 p -143.36 154.82 44.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.254 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -105.82 -29.58 9.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.5 p -133.62 163.94 28.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.983 175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -73.06 -15.4 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.03 0.443 . . . . 0.0 109.98 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.5 m -74.61 -14.65 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.139 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.57 -21.05 66.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.426 0.631 . . . . 0.0 109.831 175.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.654 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 74.0 m -118.74 165.59 13.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.703 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.32 161.12 20.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.824 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.0 m -65.76 -18.81 65.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.168 -173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.24 -6.72 86.55 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.702 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 36' ' ' HIS . 11.2 mt -125.87 174.46 8.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -161.27 158.58 27.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.893 0.378 . . . . 0.0 110.294 174.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.0 t -89.14 146.72 24.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.085 -171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.5 p -79.09 61.46 3.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.283 0.563 . . . . 0.0 109.965 175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.72 -78.8 1.84 Allowed Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -153.72 35.72 0.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.582 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . -107.82 -84.62 1.67 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.285 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -149.04 140.75 23.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.705 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' TRP . 78.8 m -69.34 141.15 54.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.831 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -131.0 154.8 47.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.881 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.488 ' HA ' HD23 ' A' ' 26' ' ' LEU . 1.7 p-80 -63.7 114.22 3.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.645 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 55.8 ttp180 -91.85 -55.32 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.572 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -106.37 -50.91 3.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.724 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -84.65 90.87 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.372 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.096 -176.503 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.555 0.217 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.579 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -149.14 -98.91 0.2 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -174.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 150.48 176.68 23.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.738 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.31 113.9 6.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.42 -16.52 44.8 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.427 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.93 133.14 52.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.441 0.163 . . . . 0.0 110.578 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -63.04 133.76 55.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 25.5 p -138.15 158.63 43.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.5 p -110.33 -27.3 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.903 0.858 . . . . 0.0 108.8 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -146.3 167.87 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.623 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -68.82 -16.06 63.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.445 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 m -70.72 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.916 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.32 -17.98 61.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.975 175.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.579 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 72.5 m -130.29 -176.26 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.278 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 m -73.5 179.21 4.17 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.9 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -67.62 -26.81 66.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.795 0.331 . . . . 0.0 111.265 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.74 -12.85 78.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.306 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 3.1 mm? -115.26 122.96 47.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.918 0.39 . . . . 0.0 110.444 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -106.02 156.43 18.4 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.6 t -95.07 136.66 35.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.861 0.362 . . . . 0.0 110.426 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -95.45 -178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.58 -176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.39 -42.37 89.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.468 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -73.83 -17.42 61.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.084 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.49 42.23 2.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.477 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -129.28 127.54 41.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 98.8 m -61.61 127.33 30.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.806 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -119.25 150.69 39.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.506 ' HB2' ' H ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -78.57 71.96 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.288 0.566 . . . . 0.0 112.135 -174.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -55.53 -44.15 76.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.569 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -88.75 15.41 8.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.563 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 36.6 t80 62.21 92.1 0.06 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.865 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.506 ' H ' ' HB2' ' A' ' 36' ' ' HIS . 9.0 t . . . . . 0 C--O 1.248 1.004 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 96.3 m . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.299 0.095 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' H ' ' HA ' ' A' ' 22' ' ' CYS . . . -55.78 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.52 0.398 0 O-C-N 123.748 0.655 . . . . 0.0 113.182 172.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 141.02 -178.88 19.82 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.667 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.65 122.52 18.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.94 0.4 . . . . 0.0 111.165 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.91 2.33 86.38 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.504 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -82.61 149.31 27.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.63 136.22 40.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.445 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 p -142.96 147.62 35.49 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.938 0.399 . . . . 0.0 111.184 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 p -102.45 -35.39 8.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -129.72 157.75 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.011 171.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -71.63 -15.29 62.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.642 0.258 . . . . 0.0 110.546 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 m -66.3 -16.39 64.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.059 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 11.1 t70 -64.12 -45.46 88.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.855 176.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.606 ' HA ' ' H ' ' A' ' 10' ' ' GLY . 56.9 m -100.8 167.44 10.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.393 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.5 m -74.6 164.98 25.96 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -67.43 -6.53 19.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -166.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.34 -22.75 58.21 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.613 -0.804 . . . . 0.0 111.637 173.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 0.9 OUTLIER -114.07 114.67 26.42 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.506 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 14.2 m95 -101.86 152.76 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.756 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.71 134.59 33.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.369 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.5 p -81.56 44.7 0.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.535 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.73 66.68 2.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.916 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 t 58.99 55.95 4.23 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.356 0.598 . . . . 0.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.27 -89.35 0.1 Allowed Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.858 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.3 m80 -135.46 147.41 48.91 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 96.3 m -82.35 115.81 21.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.271 175.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 26' ' ' LEU . 53.2 p90 -98.7 148.0 24.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.712 0.292 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.62 78.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.344 0.592 . . . . 0.0 111.336 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -59.95 -41.19 91.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.115 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -84.39 23.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.095 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 55.04 39.01 31.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.624 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.706 178.166 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 23.8 m . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.563 0.22 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.618 ' HA3' ' SG ' ' A' ' 22' ' ' CYS . . . -118.01 -88.99 1.3 Allowed Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.72 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' CYS . . . 131.42 177.99 15.21 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 114.64 9.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.872 0.368 . . . . 0.0 110.492 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.42 0.53 65.0 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.251 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -74.83 147.49 41.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.636 0.255 . . . . 0.0 110.397 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 52.9 mttp -74.19 129.75 38.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.573 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -145.01 141.14 28.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.941 0.4 . . . . 0.0 111.267 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 t -109.67 -13.0 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 169.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.6 p -140.02 152.42 46.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.112 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 62.3 pttt -74.6 -19.26 60.38 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.686 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -67.61 -15.69 63.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.814 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' CYS . 10.3 t70 -67.19 -43.06 83.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.438 . . . . 0.0 109.925 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.618 ' SG ' ' HA3' ' A' ' 10' ' ' GLY . 96.4 m -93.85 169.8 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.096 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.97 -175.96 2.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.639 0.257 . . . . 0.0 111.571 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 m -69.31 -25.57 64.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.894 0.378 . . . . 0.0 111.63 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.2 -22.84 64.54 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.707 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.78 114.18 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -102.7 154.54 19.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.068 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 14.9 t -80.46 127.37 32.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.3 p -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.994 0.426 . . . . 0.0 111.192 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.47 -15.73 61.66 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.523 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -80.59 -15.76 55.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.091 0.472 . . . . 0.0 110.013 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 123.02 -2.8 9.85 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.782 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 56.5 m80 -135.85 142.91 44.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.881 0.341 . . . . 0.0 110.516 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' GLY . 88.9 m -77.02 146.15 37.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.036 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.15 174.26 6.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.015 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -77.9 105.8 9.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -90.89 -42.53 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -101.52 27.02 6.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.967 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 t80 59.45 29.19 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 109.847 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.299 -178.826 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.924 0.392 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -164.26 141.31 7.0 Favored Glycine 0 N--CA 1.437 -1.254 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' HG ' ' A' ' 26' ' ' LEU . . . -95.55 -160.86 33.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.806 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 121.57 20.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.93 0.395 . . . . 0.0 110.525 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 0.52 55.63 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.149 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 33' ' ' HIS . . . -73.75 136.98 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 21.5 pttp -72.69 139.52 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -157.24 158.13 35.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.211 0.529 . . . . 0.0 111.977 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -114.92 -33.1 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.022 168.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -122.55 156.8 33.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.9 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 22.7 pttm -77.01 -16.06 59.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.691 0.281 . . . . 0.0 111.34 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.2 m -75.51 -11.3 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.153 0.501 . . . . 0.0 110.244 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -70.91 -37.27 72.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.51 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.496 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 73.4 m -97.51 176.88 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.749 176.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.57 168.69 19.06 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.588 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.2 m -52.03 -43.87 63.92 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.86 -15.33 73.79 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.167 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 2.3 mm? -108.66 112.36 24.64 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 19.4 m95 -96.07 145.32 25.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.007 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 42.2 t -86.07 119.46 26.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.895 0.379 . . . . 0.0 111.093 -174.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -83.15 155.67 23.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.697 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.22 -12.51 55.58 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.356 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.1 m -82.23 13.83 3.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.035 0.445 . . . . 0.0 110.776 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 15' ' ' LYS . . . 75.5 18.38 79.85 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.747 172.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 34.8 m80 -139.4 139.96 37.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.989 0.395 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 71.6 m -80.42 144.88 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.006 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -127.62 153.86 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.054 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -80.49 73.54 7.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 112.06 -175.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -67.56 -32.99 74.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.806 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -81.64 -8.6 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.216 0.531 . . . . 0.0 110.646 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 56.33 48.62 16.74 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.708 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.248 1.016 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.175 179.563 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.065 0.46 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 22' ' ' CYS . . . -143.46 124.07 2.21 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -172.6 43.35 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.761 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 132.02 49.68 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.652 -0.323 . . . . 0.0 110.418 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.99 0.44 74.55 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.549 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.66 142.75 40.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -77.73 137.37 38.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.28 0.562 . . . . 0.0 110.23 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 18' ' ' THR . 8.0 p -143.26 143.64 31.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.393 -171.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 t -94.6 -33.82 12.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 53.0 p -138.47 179.41 6.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.478 173.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -68.84 -23.12 64.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.962 0.41 . . . . 0.0 110.964 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -74.35 -7.07 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.391 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.01 -9.98 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.366 0.603 . . . . 0.0 109.775 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.477 ' HA ' ' N ' ' A' ' 10' ' ' GLY . 76.8 m -129.07 -168.09 1.88 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.118 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.48 177.96 6.43 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.439 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -71.41 -20.65 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.77 -23.49 55.71 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.236 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 36' ' ' HIS . 2.4 mm? -107.41 111.67 24.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.014 0.435 . . . . 0.0 110.126 -178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -98.73 137.15 37.76 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -79.19 130.1 35.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.481 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.4 77.13 3.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.148 0.499 . . . . 0.0 109.874 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.14 -80.73 1.48 Allowed Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.066 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -162.16 42.81 0.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.089 0.471 . . . . 0.0 110.447 -178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -127.36 -85.9 0.53 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.299 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -130.38 153.05 49.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.95 0.405 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . 92.1 m -88.12 147.41 24.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.289 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -125.13 154.97 40.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.521 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.632 ' HB2' ' H ' ' A' ' 40' ' ' THR . 0.7 OUTLIER -83.6 75.26 10.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.806 0.812 . . . . 0.0 112.265 -174.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -54.64 -51.43 65.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.155 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -86.24 29.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.973 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 58.62 50.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.247 0.546 . . . . 0.0 111.434 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.632 ' H ' ' HB2' ' A' ' 36' ' ' HIS . 8.6 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.264 175.845 . . . . . . . . 1 1 . 1 stop_ save_