data_2l4z_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l4z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.091 0.472 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.49 70.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.647 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -72.45 -26.04 61.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.824 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -97.12 -6.62 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -77.73 149.22 34.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.108 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.412 ' SD ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.71 152.89 38.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.101 174.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.3 116.5 31.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.26 94.17 3.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.622 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 3.2 m -88.31 113.42 23.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.144 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . 0.471 HG11 ' HD2' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -90.67 106.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.091 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 35' ' ' LEU . 1.8 mp -84.95 123.61 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.045 0.45 . . . . 0.0 110.233 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.61 138.15 31.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 110.718 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.891 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.236 0.355 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 42' ' ' TYR . 10.1 mmtt -120.54 124.02 44.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -79.78 130.81 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.48 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.58 147.14 26.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.92 2.4 40.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.82 -55.94 1.27 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.654 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.54 -18.47 21.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.186 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.27 72.24 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.177 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.51 -140.07 11.21 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.843 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 148.49 38.15 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 48.3 mt -76.84 109.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.109 0.481 . . . . 0.0 110.445 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.58 14.36 23.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.389 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.57 175.49 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.449 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HD1' ' A' ' 34' ' ' PHE . 8.1 tpt85 -76.69 -68.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 110.522 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HD1' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m-85 -101.86 123.69 46.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.465 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.667 HD12 HD12 ' A' ' 673' ' ' ILE . 1.3 pp -98.66 147.03 25.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.27 161.08 21.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.546 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.622 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -110.32 140.14 44.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.895 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -152.61 123.27 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.672 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 69.5 -72.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.969 0.793 . . . . 0.0 110.706 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -166.13 -2.1 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.715 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.17 170.01 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.989 -0.444 . . . . 0.0 111.394 -174.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CE2' ' HD2' ' A' ' 21' ' ' LYS . 14.2 m-85 -93.01 135.32 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.174 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.443 ' NE1' ' HB1' ' A' ' 38' ' ' ALA . 3.8 m95 -137.63 179.05 6.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.236 0.541 . . . . 0.0 111.139 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -147.87 -178.32 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -54.81 10.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -77.76 -20.87 52.64 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -170.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.463 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 19.7 m -96.64 -36.04 10.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.181 0.446 . . . . 0.0 111.274 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -79.85 87.18 5.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -144.47 176.06 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.805 -178.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.9 t -71.91 137.61 47.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.484 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -79.52 -4.74 52.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.191 0.519 . . . . 0.0 110.227 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.25 -37.48 5.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.757 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 96.7 m -90.77 -34.96 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.201 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.41 9.53 6.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.554 -170.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.95 122.28 22.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.395 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.612 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 27.8 mt-30 -54.95 102.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.732 0.645 . . . . 0.0 111.156 -176.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.801 HD21 ' HG ' ' A' ' 64' ' ' SER . 0.3 OUTLIER -69.07 -22.88 63.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.285 -177.01 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -10.48 85.71 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.86 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.43 3.34 43.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.479 0.657 . . . . 0.0 110.133 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.01 -46.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.782 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.2 22.0 31.06 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.616 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.13 127.31 32.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.322 . . . . 0.0 111.302 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.42 88.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.988 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.801 ' HG ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -75.52 171.39 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.578 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' HE1' ' HG3' ' A' ' 74' ' ' ARG . 89.3 m-85 -131.31 170.75 14.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.009 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 t -146.02 179.61 7.36 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.932 0.396 . . . . 0.0 110.652 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -166.19 -63.89 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.8 36.65 2.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.231 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.02 -24.62 8.75 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.062 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.82 138.51 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.558 0.218 . . . . 0.0 110.65 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.41 108.97 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.987 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.87 149.61 41.26 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.857 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 29.9 p -65.01 170.07 4.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.541 ' HG3' ' HE1' ' A' ' 65' ' ' TYR . 7.8 ttp180 -49.69 -49.48 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.689 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -78.91 -33.78 45.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.215 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.857 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -67.2 -38.61 85.63 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.5 -43.64 89.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.849 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.454 ' H ' HG13 ' A' ' 78' ' ' ILE . 2.3 mt -68.12 -35.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.627 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -36.59 60.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.853 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -83.12 -61.02 1.97 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.981 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.13 -91.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.357 -1.246 . . . . 0.0 111.356 -175.351 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.464 HD23 ' HE2' ' A' ' 77' ' ' TYR . 6.6 mt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -43.66 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.335 0.588 . . . . 0.0 110.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.75 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.227 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -81.51 -3.41 53.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.312 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.47 146.83 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.208 0.528 . . . . 0.0 111.348 -176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.711 ' HE3' HG22 ' A' ' 71' ' ' ILE . 4.9 ptt? -137.28 125.41 23.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.964 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.31 145.4 27.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.042 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.8 t -92.02 106.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.333 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.647 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -88.72 109.06 19.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.066 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.06 118.66 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.261 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.632 HG21 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -89.4 125.99 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.302 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.05 118.48 30.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.572 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.923 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -110.29 145.88 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.889 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 139.05 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.46 155.7 16.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.838 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.27 -2.68 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.92 -47.58 2.44 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.966 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 p -99.26 -46.85 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.84 6.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.015 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.02 -146.64 20.63 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.222 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -92.91 145.27 24.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 44' ' ' HIS . 95.7 mt -76.28 108.52 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.788 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.85 15.03 29.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.438 0.637 . . . . 0.0 110.23 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.42 ' H ' HG23 ' A' ' 30' ' ' ILE . 3.2 t0 -80.5 175.06 11.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.32 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -65.0 1.06 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.546 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -101.94 126.25 48.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.282 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.632 HD12 HG21 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.12 148.62 22.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.44 145.21 51.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.976 0.417 . . . . 0.0 111.384 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.647 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -91.78 131.35 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.403 173.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.545 ' HB1' ' HE2' ' A' ' 668' ' ' MET . . . -119.55 -84.18 0.66 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.073 0.463 . . . . 0.0 110.671 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.455 ' HE3' HG23 ' A' ' 71' ' ' ILE . 14.2 mtt -85.41 -47.48 9.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.894 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -178.59 -15.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.37 171.01 7.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.687 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -91.36 131.52 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 5.1 m95 -130.67 174.82 9.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.335 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.553 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -137.4 170.67 15.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -38.09 17.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -171.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -35.46 63.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -174.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 58.7 m -97.22 -32.45 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.535 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -75.13 73.34 2.27 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 109.876 178.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.91 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 1.5 mtmt -143.86 178.6 7.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.928 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 19.5 t -68.83 139.72 55.22 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.122 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -11.47 59.67 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.107 0.48 . . . . 0.0 110.11 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -52.54 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.716 -176.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.51 -12.96 13.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.043 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.35 31.03 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.449 175.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 49' ' ' LYS . . . -67.01 148.17 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.718 ' HB3' ' HB2' ' A' ' 59' ' ' ASP . 6.0 mm100 -63.7 88.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.121 0.263 . . . . 0.0 111.357 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.91 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 2.0 mp -72.56 -22.33 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.21 0.43 78.4 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.718 ' HB2' ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -101.98 12.74 36.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.307 0.575 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.21 139.63 32.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.994 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.86 28.72 4.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.337 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.23 130.17 46.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.618 0.247 . . . . 0.0 110.632 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 137.03 56.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.488 . . . . 0.0 111.516 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.435 ' HB2' ' HE1' ' A' ' 668' ' ' MET . 0.3 OUTLIER -96.41 -176.54 3.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.808 177.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.607 ' HE2' ' HB3' ' A' ' 74' ' ' ARG . 54.6 m-85 -129.85 162.44 28.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 110.655 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -148.77 174.51 12.12 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.363 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HB2' ' HE1' ' A' ' 77' ' ' TYR . 15.8 tttp -158.2 -67.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.479 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.45 38.67 0.98 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.351 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.33 29.03 73.89 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.934 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.0 136.07 53.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.469 0.176 . . . . 0.0 110.838 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.711 HG22 ' HE3' ' A' ' 668' ' ' MET . 0.1 OUTLIER -78.96 108.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.451 176.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 80' ' ' LEU . 1.1 mp -130.77 150.63 51.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.115 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 22.9 p -73.28 164.62 26.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.08 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.607 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.52 -38.04 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.515 -178.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -72.03 -44.15 63.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.142 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.671 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.5 OUTLIER -73.48 -37.23 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.62 -174.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' HE2' HD23 ' A' ' 663' ' ' LEU . 22.7 t80 -57.84 -47.19 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.645 0.26 . . . . 0.0 110.97 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.87 -29.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.132 0.492 . . . . 0.0 110.847 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -74.94 -32.31 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.854 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -89.87 -50.27 6.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 -176.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -114.18 -95.33 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.064 0.459 . . . . 0.0 110.947 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.038 -175.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.429 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.492 0.663 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.7 -21.7 60.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.951 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.62 -18.77 43.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.164 0.507 . . . . 0.0 110.18 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.429 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 50.0 m-85 -90.35 -5.18 56.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.193 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.84 154.77 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.016 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 147.22 42.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.276 175.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -76.51 111.39 11.94 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.254 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t -87.06 96.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.081 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.2 m -87.64 103.36 15.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.974 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.47 116.1 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.58 128.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 10.0 t70 -71.22 100.46 2.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.911 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.739 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.8 m0 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.545 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -142.78 134.66 26.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 129.54 34.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.028 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.538 ' HB3' HG13 ' A' ' 30' ' ' ILE . 29.3 p -101.95 154.82 18.6 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.273 0.558 . . . . 0.0 111.716 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.87 -45.98 19.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.824 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -63.87 4.2 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.368 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.07 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.488 . . . . 0.0 110.27 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 23.84 27.38 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.69 -138.78 4.74 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -116.08 139.85 49.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 21' ' ' LYS . 25.9 mt -66.63 107.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.184 0.516 . . . . 0.0 110.507 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.41 16.04 25.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.16 -171.89 2.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.78 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -88.85 -70.72 0.63 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.234 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -100.23 126.39 46.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.945 0.402 . . . . 0.0 111.397 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.38 149.43 24.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.444 176.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 149.44 49.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -91.62 138.78 31.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.526 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.94 121.89 6.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.125 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.68 -64.23 0.4 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.067 0.854 . . . . 0.0 111.293 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -165.34 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.547 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.7 170.56 8.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.007 0.432 . . . . 0.0 111.724 -171.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.13 127.15 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.484 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.662 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -128.38 171.57 11.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.256 0.551 . . . . 0.0 110.901 177.385 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.73 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.0 p80 -131.31 -172.42 2.84 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -45.59 69.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -7.08 55.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.73 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.42 -57.83 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 43' ' ' TRP . 16.5 tp -75.2 93.21 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.707 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -144.78 166.64 24.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.07 177.289 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 t -66.92 127.97 34.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.817 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 0.92 26.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.505 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -102.34 -51.66 3.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.79 -177.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 55' ' ' ALA . 26.2 p -110.59 -6.32 14.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.385 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.99 15.78 4.5 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.556 0.535 . . . . 0.0 111.83 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -64.6 122.53 17.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.743 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 11.4 mm-40 -61.63 120.67 11.05 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.45 0.469 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HA ' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.83 14.04 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.248 0.547 . . . . 0.0 110.915 -174.451 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.45 -49.52 4.13 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.817 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.66 70.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.776 0.322 . . . . 0.0 111.145 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.91 -102.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.428 . . . . 0.0 111.682 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 157.8 -51.55 0.41 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.83 132.2 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 154.13 41.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.268 0.556 . . . . 0.0 112.25 -175.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.496 ' HB3' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -78.81 160.71 27.25 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.546 176.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -127.13 159.53 33.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.239 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -144.73 158.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 111.012 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -164.51 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.795 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.72 18.76 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.252 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.25 23.87 77.04 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.22 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.7 mtm -130.91 147.59 52.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.82 113.21 21.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 5.0 mp -122.64 144.62 49.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.144 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 16.9 p -73.96 164.6 26.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.039 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' H ' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -50.59 -45.13 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.647 178.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.05 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.13 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.524 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -80.32 -47.54 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.815 -175.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -59.48 -50.57 73.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.556 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.6 -33.92 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.076 0.465 . . . . 0.0 111.026 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 79' ' ' ARG . 14.4 ttm105 -73.84 -45.99 47.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.3 -51.58 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.89 -100.52 0.43 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -175.563 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -69.78 -27.76 65.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.545 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.8 -25.2 63.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.48 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -100.1 -0.89 38.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.419 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.632 ' HD3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -74.49 132.57 42.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.139 -175.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.59 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 2.0 mtm -102.1 85.38 2.66 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.257 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.57 118.69 16.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.089 0.471 . . . . 0.0 110.735 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.1 t -84.62 124.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.688 -173.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 138.91 35.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.79 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.62 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.2 mp -107.76 123.27 63.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.49 123.23 28.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.531 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.189 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.561 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 2.1 m0 . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -122.74 123.19 40.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.985 177.079 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.55 128.24 34.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.333 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 p -93.91 154.75 17.53 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.685 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 -44.25 10.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -170.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -69.82 1.28 Allowed Glycine 0 C--N 1.328 0.129 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.831 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -46.27 90.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 0.0 110.363 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.36 36.14 5.24 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.72 -117.55 2.25 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.97 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -140.44 137.61 34.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.779 0.323 . . . . 0.0 110.308 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.937 HG22 ' HB3' ' A' ' 44' ' ' HIS . 5.7 mt -72.17 108.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.383 0.611 . . . . 0.0 110.691 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.44 21.34 17.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.096 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.522 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -87.8 5.54 39.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.066 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.6 -63.7 0.42 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.707 0.629 . . . . 0.0 110.462 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.17 127.97 47.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -97.29 159.46 14.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 36' ' ' LEU . 1.8 mm? -108.92 134.98 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.822 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -100.59 103.39 14.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 177.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.489 ' HB3' ' SD ' ' A' ' 668' ' ' MET . . . -107.4 -110.37 0.3 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.429 ' H ' ' HG2' ' A' ' 39' ' ' MET . 0.7 OUTLIER -78.69 65.33 3.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.253 . . . . 0.0 111.537 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 74.59 -16.98 0.5 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.57 171.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.35 170.61 8.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -91.42 130.66 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.577 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 11.1 m95 -132.21 168.87 17.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.251 0.548 . . . . 0.0 111.208 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.937 ' HB3' HG22 ' A' ' 30' ' ' ILE . 1.4 p80 -135.56 -169.73 2.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 174.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.651 ' HB3' ' HG3' ' A' ' 56' ' ' GLN . 53.7 m -70.15 -17.6 63.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.167 0.439 . . . . 0.0 111.676 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 1.8 mtm-85 -100.25 -7.63 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.688 0.28 . . . . 0.0 111.034 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.693 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -100.78 -55.6 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.845 0.355 . . . . 0.0 110.049 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -76.23 77.76 3.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.982 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.804 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -144.56 161.08 40.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.139 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.7 t -65.89 132.42 48.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.709 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 m -70.16 -9.45 55.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.185 0.517 . . . . 0.0 110.498 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 -47.16 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.05 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 94.5 m -80.42 -35.62 34.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.517 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.471 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.9 mm100 63.04 26.5 15.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 -174.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.65 154.88 17.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.922 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.651 ' HG3' ' HB3' ' A' ' 45' ' ' SER . 3.9 mp0 -65.05 97.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 111.212 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.804 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -77.75 -20.3 53.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.419 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.64 -17.18 71.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.155 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.07 38.27 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 111.52 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.09 143.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.318 . . . . 0.0 110.77 176.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.64 94.93 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.787 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 118.28 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.632 ' HB2' ' HD3' ' A' ' 667' ' ' LYS . 1.2 m -73.05 161.54 30.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.042 0.449 . . . . 0.0 111.394 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.433 ' HB3' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -78.33 169.08 18.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 179.238 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.512 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 98.0 m-85 -129.71 156.86 43.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.175 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.59 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 2.9 t -143.13 168.98 18.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -166.66 -60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.34 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.41 20.64 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.441 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 24.04 66.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.78 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 25.3 mtm -115.99 151.54 35.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.37 109.04 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.948 0.404 . . . . 0.0 110.311 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -131.5 156.0 46.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.931 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -72.01 170.97 12.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -62.42 -25.43 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.761 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -82.28 -47.8 11.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.485 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.502 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -65.61 -42.5 91.5 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.467 -175.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.7 -47.79 84.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.805 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.585 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 64.3 mt -69.29 -37.73 76.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.479 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 79' ' ' ARG . 3.5 ttp-105 -64.14 -41.93 97.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.567 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -63.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.82 -64.09 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.585 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -1.151 . . . . 0.0 111.842 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.628 HD12 HD12 ' A' ' 78' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.849 0.356 . . . . 0.0 111.336 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -53.32 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.109 0.48 . . . . 0.0 110.738 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' A' ' 665' ' ' GLN . 4.5 mm-40 -71.81 -15.37 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.81 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.482 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 3.3 m-30 -86.97 -14.25 42.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -73.22 123.74 24.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.508 ' HE3' ' HE2' ' A' ' 39' ' ' MET . 12.5 ptp -87.04 106.0 17.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.25 111.93 3.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.238 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.14 94.82 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.314 0.578 . . . . 0.0 110.761 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -92.02 113.58 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.327 178.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . 0.479 HG11 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -87.68 137.71 20.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.929 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mp -110.26 132.64 58.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 7.5 t70 -70.14 93.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' THR . . . . . 0.661 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 2.1 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.116 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -118.93 154.96 32.15 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -125.49 119.03 27.11 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 -172.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.55 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 4.8 p -88.87 154.88 19.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.29 7.13 45.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -104.47 -81.86 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.659 -175.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 15.7 p -82.17 -105.11 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.517 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -79.79 -16.23 77.7 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.135 -171.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.55 ' HA2' ' O ' ' A' ' 23' ' ' CYS . . . 77.76 12.34 84.55 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.827 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -142.16 102.48 4.12 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 21' ' ' LYS . 63.0 mt -76.35 107.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.454 0.645 . . . . 0.0 110.998 -175.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.08 18.79 21.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.854 171.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -83.08 -177.9 6.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.257 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.661 ' O ' ' HA ' ' A' ' 675' ' ' THR . 0.0 OUTLIER -82.25 -72.21 0.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -101.78 153.2 20.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.828 -174.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.929 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 10.9 mt -100.17 157.59 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.085 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 HG13 ' A' ' 672' ' ' VAL . 12.1 mt -137.3 135.14 36.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.704 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.405 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.6 OUTLIER -97.51 142.32 29.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.581 174.651 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -127.24 -77.73 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.083 0.468 . . . . 0.0 110.276 176.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.508 ' HE2' ' HE3' ' A' ' 668' ' ' MET . 1.2 mpt? -100.38 -47.96 4.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.31 -22.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.269 -175.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.9 164.47 13.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 111.37 -172.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 13.8 m-85 -83.48 127.3 33.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.545 173.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 12.7 m95 -128.01 -178.88 4.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.242 0.544 . . . . 0.0 110.399 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.7 p80 -145.75 178.21 8.33 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -31.37 67.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.82 -18.63 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -100.22 -40.66 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.238 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -80.07 65.54 5.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.635 0.731 . . . . 0.0 110.563 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 164.1 20.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.064 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 43.5 t -62.1 139.87 58.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.784 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.51 -8.0 59.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.559 176.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -113.99 -51.84 2.76 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.782 -176.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.32 -22.61 19.62 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 67.43 30.85 6.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.277 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.44 141.35 28.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -73.64 82.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.935 0.398 . . . . 0.0 110.445 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.08 -19.55 66.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.408 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.16 -20.38 60.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -17.32 19.03 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.838 0.828 . . . . 0.0 110.293 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -101.86 143.63 14.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 114.448 -1.251 . . . . 0.0 108.819 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 56.96 1.63 Allowed Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.494 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 137.58 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.791 0.329 . . . . 0.0 111.562 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.43 79.27 5.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 158.14 36.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.228 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.92 164.38 15.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 t -152.78 168.55 25.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.183 0.516 . . . . 0.0 111.282 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.571 ' HD3' ' HB3' ' A' ' 81' ' ' PHE . 1.9 tttp -140.16 -67.04 0.44 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.425 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.92 25.07 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.107 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.38 15.31 76.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mtt -89.95 133.68 34.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -85.76 113.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 77' ' ' TYR . 1.6 mp -142.39 158.58 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.266 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.0 m -85.36 -170.26 3.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.084 0.469 . . . . 0.0 110.848 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -65.93 -56.21 12.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.11 -172.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -43.49 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 111.509 -172.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.94 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.229 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.536 ' HA ' HD22 ' A' ' 72' ' ' LEU . 24.6 t80 -66.91 -43.02 84.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.535 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.628 HD12 HD12 ' A' ' 663' ' ' LEU . 27.1 mm -61.9 -40.19 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.33 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -46.97 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.844 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 HD22 ' CE2' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -73.66 -57.49 3.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.946 -175.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' HB3' ' HD3' ' A' ' 67' ' ' LYS . 96.9 m-85 -107.87 -62.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 0.0 111.703 -175.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.421 -174.15 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.409 HD23 ' HE2' ' A' ' 77' ' ' TYR . 90.4 mt . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -60.76 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.193 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -80.99 -11.55 59.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.836 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.95 -35.29 59.76 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.127 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -69.65 133.73 47.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.894 177.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.479 ' HE2' ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -92.57 121.82 34.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.242 176.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.99 105.41 5.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.547 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.587 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 26.4 t -82.57 107.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.379 0.609 . . . . 0.0 110.147 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.64 106.82 18.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.987 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 14.9 t -87.21 115.89 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.501 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 mp -84.75 112.58 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.128 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.91 76.25 7.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.754 177.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.702 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.475 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.5 m0 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.6 OUTLIER -133.16 142.52 48.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.91 179.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.91 134.38 37.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.29 153.98 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.485 0.66 . . . . 0.0 111.646 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.85 -3.49 26.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.09 -55.41 1.2 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.528 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -101.27 -28.16 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.216 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.59 -12.52 59.67 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.382 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.44 -157.05 20.72 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.782 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -100.0 136.35 40.04 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -71.69 108.9 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.115 0.483 . . . . 0.0 110.091 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.08 15.13 10.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.6 -91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.038 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -176.93 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.7 131.57 45.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.86 141.91 28.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.691 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD12 ' HA3' ' A' ' 58' ' ' GLY . 28.7 mt -123.24 151.02 42.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.983 0.42 . . . . 0.0 111.105 -176.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -119.05 105.81 11.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.194 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' HB3' HD23 ' A' ' 48' ' ' LEU . . . -78.66 -44.37 23.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.0 110.887 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtm -148.18 -64.47 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.28 -177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -146.11 -7.97 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.178 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.66 170.04 9.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.669 0.271 . . . . 0.0 111.024 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -98.99 132.43 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -135.83 176.8 8.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.786 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -139.12 179.62 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -40.22 64.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -171.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -12.71 44.29 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.49 -36.12 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.495 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.78 73.69 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.385 0.612 . . . . 0.0 110.937 -178.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -132.2 165.57 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.999 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 50.8 t -59.4 136.92 58.12 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 173.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 m -77.35 0.04 23.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 0.0 110.388 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 -36.85 3.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.959 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 99.5 m -95.88 -31.19 13.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 111.621 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.71 24.19 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.114 -171.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.96 134.76 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.332 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 111.324 -175.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.05 -21.18 64.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.661 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.671 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . -87.28 -3.75 81.68 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.537 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 2.9 43.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.106 0.955 . . . . 0.0 109.814 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.477 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 4.5 mt -132.23 145.9 33.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.521 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.66 57.99 2.1 Favored Glycine 0 C--N 1.319 -0.416 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.525 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -98.05 115.64 28.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.002 0.43 . . . . 0.0 111.436 -174.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -75.02 81.42 2.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.692 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 667' ' ' LYS . 0.5 OUTLIER -70.32 144.15 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.011 -178.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -112.39 146.04 39.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 t -134.11 166.35 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.049 0.452 . . . . 0.0 110.813 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -63.67 0.47 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.254 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.86 42.45 1.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.305 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 28.22 73.5 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.667 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.74 131.84 55.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.62 107.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.025 0.441 . . . . 0.0 110.585 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.624 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 1.2 mt -129.9 157.24 42.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.8 p -74.38 177.11 6.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.544 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -59.75 -42.12 92.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.586 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -35.75 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.877 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -70.03 -37.13 75.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.615 -175.153 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' HE2' HD23 ' A' ' 663' ' ' LEU . 25.1 t80 -57.03 -45.84 82.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.567 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.32 -40.64 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 0.0 110.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -32.13 71.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -62.6 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.063 0.458 . . . . 0.0 110.906 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -112.9 -82.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.492 -1.171 . . . . 0.0 111.385 -176.349 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.497 ' HA ' HD11 ' A' ' 663' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -35.04 79.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 0.0 111.495 -177.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -11.12 59.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.079 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -101.1 3.13 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.88 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.49 129.14 36.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 111.218 -176.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.543 ' HE1' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -102.31 141.35 35.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.594 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -99.45 113.66 26.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.56 95.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.079 0.466 . . . . 0.0 111.052 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.604 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -91.68 130.31 37.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.324 177.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.59 121.38 65.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.9 mp -115.44 140.38 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.763 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.36 155.22 34.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.697 0.284 . . . . 0.0 111.271 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.402 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.3 m-90 . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.786 0.327 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 1.4 mmtt -134.44 152.3 51.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.02 145.41 26.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 110.359 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 23.3 m -59.1 155.28 14.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.777 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.72 -17.02 9.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.024 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.1 -60.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.777 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.04 -66.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.004 0.402 . . . . 0.0 110.642 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.95 34.58 0.72 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.577 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -140.32 -131.23 2.73 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.045 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -112.92 134.29 54.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.767 0.318 . . . . 0.0 110.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.558 HG12 ' CD2' ' A' ' 44' ' ' HIS . 45.8 mt -74.49 109.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.199 0.523 . . . . 0.0 110.272 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.35 21.08 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.85 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 7.0 m-20 -85.4 -178.36 6.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.442 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -46.45 6.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.831 0.348 . . . . 0.0 110.358 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -101.59 135.82 42.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.247 0.546 . . . . 0.0 111.726 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.8 140.8 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.484 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.37 134.72 54.84 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.008 0.432 . . . . 0.0 111.572 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.604 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 1.3 m-85 -99.92 117.15 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.549 ' CB ' HD22 ' A' ' 48' ' ' LEU . . . -103.92 -32.21 9.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.787 0.327 . . . . 0.0 111.423 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.0 ptp -163.29 -34.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.279 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -29.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.18 165.62 15.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -175.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -94.85 117.4 30.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.2 m95 -120.52 176.55 5.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 0.0 110.431 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.737 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -133.79 -173.97 3.39 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 167.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.174 0.443 . . . . 0.0 111.282 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -30.52 29.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.114 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.737 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -79.17 -53.78 6.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.894 0.378 . . . . 0.0 110.306 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -76.06 85.88 2.95 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.808 -176.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 164.96 27.93 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.61 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.87 135.28 52.25 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.098 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -78.03 -8.96 58.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.646 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.59 -52.5 3.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.95 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.35 -10.08 17.21 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.415 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 27.37 16.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.186 176.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.64 34.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -73.66 67.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 109.878 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.73 -23.05 66.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.191 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 48' ' ' LEU . . . -78.56 -21.21 69.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.668 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 13.11 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.333 0.587 . . . . 0.0 110.635 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.98 141.37 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.787 177.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.26 64.3 2.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.114 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.74 153.5 17.84 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.473 0.309 . . . . 0.0 110.931 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -82.82 66.84 8.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.043 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 151.01 44.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.651 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 663' ' ' LEU . 53.5 m-85 -123.34 149.47 44.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.15 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.28 138.24 52.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.263 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.56 133.33 10.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.637 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m 57.17 36.58 27.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.395 0.617 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.4 19.04 74.05 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.792 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.4 mtm -111.38 150.93 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.822 0.311 . . . . 0.0 110.448 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.404 ' C ' HD11 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -116.4 113.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 77' ' ' TYR . 7.2 mp -124.36 149.46 46.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.694 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 20.4 p -72.39 166.49 22.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.029 176.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -49.93 -54.34 20.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.488 -170.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.576 ' HA ' HD11 ' A' ' 78' ' ' ILE . 35.0 t30 -78.25 -25.77 46.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.583 -175.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.694 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 2.3 m-20 -77.66 -26.19 50.18 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.521 -175.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.658 ' HA ' HD23 ' A' ' 72' ' ' LEU . 15.3 t80 -59.59 -46.35 89.2 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.52 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -68.17 -27.19 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 178.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.606 ' HB2' ' HA ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -64.88 -44.15 90.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.325 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mp -84.15 -58.38 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.065 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -106.39 -98.1 0.35 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.792 -175.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 666' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -32.35 73.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.151 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -86.3 -10.36 54.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.156 0.503 . . . . 0.0 110.063 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 663' ' ' LEU . 15.3 m-85 -90.89 -5.66 55.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.564 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 147.65 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.444 ' SD ' ' HB3' ' A' ' 38' ' ' ALA . 24.0 ptp -100.4 150.34 22.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.15 107.56 19.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.433 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 10.3 t -84.9 94.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 2.9 m -96.63 125.16 40.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.567 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . 0.554 HG21 ' HD2' ' A' ' 34' ' ' PHE . 7.5 p -89.84 130.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.0 0.428 . . . . 0.0 110.099 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.447 ' HB ' ' HG ' ' A' ' 35' ' ' LEU . 2.5 mp -91.42 131.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.76 129.38 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.231 -176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.321 -0.648 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.208 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 29' ' ' LYS . 2.0 m0 . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.868 0.366 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -135.74 132.76 37.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.001 177.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 61.9 mtm-85 -96.93 129.75 44.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.04 157.35 21.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.211 0.529 . . . . 0.0 111.932 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.758 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -88.28 -92.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.98 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.25 -46.78 35.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 111.033 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.08 52.33 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 22' ' ' ARG . . . -107.83 -155.65 18.97 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.743 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB3' ' CE3' ' A' ' 20' ' ' TRP . 13.3 mtpt -92.22 124.61 36.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 21' ' ' LYS . 61.6 mt -69.15 107.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.372 0.605 . . . . 0.0 109.491 177.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.91 20.19 15.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.268 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.48 8.22 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.428 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 73.15 -65.54 0.35 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.903 0.881 . . . . 0.0 111.328 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.554 ' HD2' HG21 ' A' ' 672' ' ' VAL . 2.3 m-85 -100.26 124.61 45.92 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.83 0.347 . . . . 0.0 110.365 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HG ' ' HB ' ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.5 153.35 19.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.407 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.81 165.62 13.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -114.41 149.82 35.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.294 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' ' SD ' ' A' ' 668' ' ' MET . . . -140.3 -87.89 0.19 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.143 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.597 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -83.48 -79.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 110.045 178.065 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -148.16 9.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.404 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 170.58 8.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.503 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -97.66 136.14 38.45 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -130.31 -179.37 5.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.654 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.6 p80 -150.44 -171.46 3.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.453 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.76 -35.13 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -175.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -82.45 -19.95 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.758 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -100.75 -45.64 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.07 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -75.94 72.85 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.54 0.686 . . . . 0.0 111.354 -173.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 56' ' ' GLN . 14.4 mttt -136.23 158.69 43.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.576 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 36.1 t -58.81 134.82 57.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.797 175.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -2.69 42.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.143 0.497 . . . . 0.0 110.435 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.571 ' HB2' ' OD2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -103.95 -50.7 3.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.6 -178.087 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p -115.15 -4.85 12.43 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.577 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.6 40.43 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.574 178.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 139.74 32.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.869 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.544 ' HA ' ' HG2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -69.23 118.82 12.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.955 0.407 . . . . 0.0 111.023 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.856 HD23 ' HB ' ' A' ' 62' ' ' THR . 5.0 mt -106.04 -7.51 18.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.46 -33.71 5.28 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.804 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -99.48 0.35 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.498 0.666 . . . . 0.0 111.097 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.6 141.39 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.734 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.76 65.53 1.13 Allowed Glycine 0 C--N 1.321 -0.254 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.571 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.856 ' HB ' HD23 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -98.56 131.52 44.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 178.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.467 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -66.0 111.39 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.657 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.497 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -113.36 133.98 54.87 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.99 172.06 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.386 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.597 ' HB ' ' HE2' ' A' ' 39' ' ' MET . 5.3 t -143.15 179.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 111.249 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 68' ' ' SER . 14.2 tttp -171.59 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.412 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.84 46.01 1.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.24 179.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.44 5.08 62.42 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.267 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.409 ' HB3' HD11 ' A' ' 72' ' ' LEU . 32.0 ttm -95.46 146.59 24.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 110.767 -178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.94 110.93 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -125.99 149.7 48.61 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.91 -176.13 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -82.03 179.55 7.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HG3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -57.83 -53.1 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.37 -177.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -36.92 75.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.633 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 4.1 m-20 -77.12 -36.91 55.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.739 -173.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.88 -51.87 66.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.063 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.635 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 1.6 mt -71.85 -26.03 25.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.925 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -71.57 -41.12 69.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.68 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -79.46 -60.02 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.22 -178.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.29 -55.32 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.864 0.364 . . . . 0.0 111.212 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.635 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -39.65 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.616 -174.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -87.39 -9.51 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.507 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -87.03 -11.89 49.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.35 122.15 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.421 . . . . 0.0 110.646 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.776 ' HE1' ' HG3' ' A' ' 39' ' ' MET . 1.5 mtt -85.71 90.69 8.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 63' ' ' SER . 0.3 OUTLIER -62.24 123.31 17.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.408 -176.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.61 HG23 ' HA ' ' A' ' 63' ' ' SER . 98.3 t -82.78 115.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.991 -169.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -88.29 128.19 35.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.697 173.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.6 131.44 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.161 0.505 . . . . 0.0 110.428 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 35' ' ' LEU . 3.5 mp -89.78 122.55 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.73 111.43 6.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.765 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.809 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.408 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' HG2' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -109.98 137.75 47.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.198 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.23 137.98 40.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 130.57 44.5 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 -50.01 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -168.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -59.03 -58.47 14.4 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.795 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.652 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -71.57 -48.32 49.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.007 0.432 . . . . 0.0 110.014 175.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.76 29.76 3.01 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.852 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.59 -126.56 3.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.699 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 141.16 36.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 44' ' ' HIS . 7.2 mt -73.35 108.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.255 0.55 . . . . 0.0 111.412 -174.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.3 19.43 14.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.523 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.2 -84.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.859 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -176.26 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -98.38 132.44 43.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.073 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.55 144.95 28.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.424 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.558 HD21 ' HA2' ' A' ' 58' ' ' GLY . 5.8 mp -109.83 150.5 28.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.417 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -111.51 115.38 29.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.587 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -113.35 -100.01 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.649 0.261 . . . . 0.0 110.639 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.776 ' HG3' ' HE1' ' A' ' 668' ' ' MET . 1.7 ttm -58.44 -63.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -171.82 -4.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.614 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.82 171.4 7.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.206 -177.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.31 132.49 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.108 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.629 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 5.2 m95 -125.91 153.99 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.44 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.887 ' HB3' HG22 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -109.4 -176.21 2.96 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 171.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.616 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 1.1 m -48.35 -46.31 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.652 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -93.13 -1.12 56.72 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.789 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -85.93 -52.14 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.847 -0.533 . . . . 0.0 110.257 178.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -73.44 89.21 1.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.201 178.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -134.31 144.54 48.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.692 177.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.84 133.46 56.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.793 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -76.78 -1.5 28.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -51.68 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -177.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 55' ' ' ALA . 20.8 p -112.23 3.47 17.17 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.275 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.37 25.41 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.626 177.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -61.59 120.32 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.128 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -76.52 87.11 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -75.25 -13.11 60.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.685 -178.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.558 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -62.12 -55.97 24.92 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.029 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 3.0 p-10 -84.76 14.02 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.281 -0.541 . . . . 0.0 111.446 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.63 -45.83 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 110.329 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.05 26.23 Favored Glycine 0 C--N 1.317 -0.518 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.212 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.53 123.88 26.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.61 ' HA ' HG23 ' A' ' 670' ' ' VAL . 22.9 m -68.96 109.23 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.022 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 160.95 28.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.888 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.628 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 42.9 m-85 -104.06 159.44 15.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.563 HG23 ' HE3' ' A' ' 668' ' ' MET . 1.4 t -152.98 173.63 15.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.063 0.459 . . . . 0.0 111.585 -177.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.83 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.086 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.6 43.18 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.082 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.38 -4.99 57.53 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.334 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.4 mtm -84.41 128.49 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.633 -0.334 . . . . 0.0 110.717 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.3 111.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.876 0.37 . . . . 0.0 110.035 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' HD1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.27 158.42 37.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 -177.077 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -73.11 175.78 6.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.532 . . . . 0.0 111.281 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.628 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -62.04 -31.71 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.539 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -83.15 -41.59 18.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.648 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.692 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -77.06 -38.24 52.99 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.635 -171.1 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.551 ' HD1' HD12 ' A' ' 72' ' ' LEU . 54.2 t80 -57.29 -42.94 82.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.303 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.96 -28.63 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 0.0 110.343 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -75.56 -36.77 60.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -81.07 -60.24 2.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.457 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -107.26 -101.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.683 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.695 -1.058 . . . . 0.0 111.69 -179.277 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 54.7 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 42.1 m -70.36 -12.54 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 111.006 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.05 -23.16 55.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.048 0.451 . . . . 0.0 110.22 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' THR . 26.0 m-85 -102.35 10.64 38.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.223 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 12.0 mttt -86.39 151.26 23.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.157 -172.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.407 ' CE ' ' HG3' ' A' ' 39' ' ' MET . 0.0 OUTLIER -136.79 118.75 15.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.702 171.716 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.2 148.31 24.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.306 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.57 HG21 ' HA2' ' A' ' 61' ' ' GLY . 88.9 t -83.83 108.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.593 -172.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 127.56 35.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 172.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . 0.406 HG13 ' HD2' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -96.79 139.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 -178.084 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.528 HG23 HD13 ' A' ' 35' ' ' LEU . 3.2 mp -112.51 132.93 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.125 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 5.9 t70 -84.17 86.38 7.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.95 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' THR . . . . . 0.494 HG21 HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 m0 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 35' ' ' LEU . 11.9 mmtt -114.89 125.45 53.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 142.68 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.314 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.72 144.64 34.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.84 -52.91 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -64.13 -64.26 3.77 Favored Glycine 0 CA--C 1.516 0.108 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.784 -173.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -45.9 92.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.9 1.9 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.293 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.32 -113.53 1.22 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.71 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.24 144.82 26.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.814 HG21 ' HB3' ' A' ' 44' ' ' HIS . 3.3 mt -63.93 108.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.52 0.676 . . . . 0.0 110.744 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.88 18.98 13.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 4.3 m-20 -75.97 -71.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 10.5 ttt85 177.92 -65.38 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.648 169.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.3 m-30 -96.09 137.47 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.08 146.06 25.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.264 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.66 170.47 9.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.3 OUTLIER -120.93 149.44 42.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 -177.395 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -140.59 -89.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.668 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.407 ' HG3' ' CE ' ' A' ' 668' ' ' MET . 0.0 OUTLIER -74.85 -80.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.482 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.36 3.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.32 169.59 9.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -96.93 126.97 42.45 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.535 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 16.0 m95 -121.65 179.18 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.034 0.445 . . . . 0.0 111.073 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.814 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.3 p80 -151.5 -175.55 5.24 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.38 67.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -4.11 54.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.696 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.75 -58.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.796 -179.349 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 48' ' ' LEU . 3.7 mt -73.1 86.38 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 110.766 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -143.1 142.91 31.64 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.465 175.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 26.9 t -54.05 132.32 42.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.596 0.56 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.29 -14.88 61.87 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.244 -177.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.421 ' OG ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -97.07 -52.09 3.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -174.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.43 -1.92 16.84 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.992 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 59.74 37.99 21.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.6 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -67.83 124.17 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.97 79.84 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.256 0.551 . . . . 0.0 111.439 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -9.7 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.777 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.09 -25.99 74.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.536 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.5 -35.46 9.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.079 0.942 . . . . 0.0 109.926 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.05 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.14 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.57 ' HA2' HG21 ' A' ' 670' ' ' VAL . . . -73.71 66.28 1.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.815 -171.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.39 148.47 24.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.11 110.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 0.0 111.275 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -177.92 5.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.885 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 667' ' ' LYS . 90.5 m-85 -127.71 147.59 50.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.076 0.465 . . . . 0.0 111.541 -176.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 1.2 t -135.69 173.6 11.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 176.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -163.27 -56.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.607 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -119.96 50.1 1.32 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.25 29.17 66.8 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.633 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.583 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -130.08 129.42 43.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.267 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.534 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -98.28 111.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.49 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 70' ' ' MET . 1.3 mm? -121.51 163.51 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -75.62 -178.08 3.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -62.56 -39.04 92.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.846 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -46.32 17.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.23 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.59 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 1.5 m-20 -72.64 -23.14 60.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.866 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -62.09 -43.14 99.47 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.203 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.453 ' H ' HG13 ' A' ' 78' ' ' ILE . 1.3 mt -71.33 -32.35 46.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -71.61 -36.69 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.671 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HA ' HD22 ' A' ' 80' ' ' LEU . 2.6 mt -80.94 -53.94 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -125.74 -76.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.105 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.411 -174.668 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' SER . . . . . 0.67 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -59.43 -33.68 71.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.67 -177.073 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -8.79 57.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.53 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.04 -23.54 17.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.629 -176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.67 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -77.71 123.13 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 0.0 110.289 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 64' ' ' SER . 0.2 OUTLIER -80.74 144.6 32.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -177.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.0 105.31 12.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.402 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 4.2 t -85.32 95.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -90.41 110.33 21.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.788 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.62 122.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.37 129.65 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -81.28 110.41 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.126 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.441 0 CA-C-O 121.134 0.492 . . . . 0.0 112.262 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m95 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.81 0.814 . . . . 0.0 112.774 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -115.56 134.75 54.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.674 170.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 127.79 35.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.776 -171.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.66 ' SG ' HG13 ' A' ' 30' ' ' ILE . 49.2 m -73.13 154.96 40.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.177 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.49 -6.84 3.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.139 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.05 -42.18 0.86 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.307 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 2.6 p -102.85 -99.66 0.29 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 117.258 0.529 . . . . 0.0 111.878 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.601 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -92.79 -73.61 1.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.472 -174.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.54 ' CA ' ' HB2' ' A' ' 23' ' ' CYS . . . 171.98 -29.52 0.11 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.371 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -117.12 114.53 23.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.57 -0.37 . . . . 0.0 110.536 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.66 HG13 ' SG ' ' A' ' 23' ' ' CYS . 19.1 mt -71.38 108.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.185 0.517 . . . . 0.0 109.84 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.21 18.54 20.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.227 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.94 -179.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HD3' ' HD1' ' A' ' 34' ' ' PHE . 1.7 tmt_? -89.76 -63.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' HD1' ' HD3' ' A' ' 33' ' ' ARG . 1.2 m-85 -100.57 130.8 46.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -100.84 150.19 23.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.12 -179.537 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 44' ' ' HIS . 3.1 mp -123.06 155.77 36.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.941 0.401 . . . . 0.0 110.815 -177.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.0 OUTLIER -106.79 149.36 27.44 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.555 -179.646 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.01 -96.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.486 ' HE1' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -83.55 55.62 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.27 -177.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.18 22.5 7.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.205 0.602 . . . . 0.0 112.206 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -132.13 171.15 14.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.612 ' HD2' HD13 ' A' ' 35' ' ' LEU . 29.0 m-85 -97.23 130.62 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CG ' ' HG ' ' A' ' 48' ' ' LEU . 1.9 m95 -131.8 171.3 13.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.453 0.644 . . . . 0.0 111.376 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.75 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -140.32 -162.97 1.43 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 171.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 1.5 m -58.8 -47.76 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.966 0.348 . . . . 0.0 111.78 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -10.98 59.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.75 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.19 -52.05 3.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.759 0.314 . . . . 0.0 110.728 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.89 77.69 9.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.11 0.481 . . . . 0.0 110.28 179.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 154.35 44.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.533 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 49.8 t -60.16 127.21 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.446 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.36 -6.09 56.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.105 0.479 . . . . 0.0 110.206 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.614 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.59 -51.65 3.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.9 -176.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -113.04 -3.65 13.98 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.287 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 64.97 41.96 4.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.333 178.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.533 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -86.81 123.04 31.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.777 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 45' ' ' SER . 15.2 mt-30 -65.34 94.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.075 0.464 . . . . 0.0 110.564 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' HD11 ' A' ' 60' ' ' ILE . 19.2 mt -79.94 -21.13 44.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.684 -177.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.17 -1.17 56.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.93 3.65 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.856 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -148.36 137.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.037 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.27 48.82 2.87 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.593 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 151.17 21.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.692 0.282 . . . . 0.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 103.49 2.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.4 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.459 ' HB2' ' SD ' ' A' ' 668' ' ' MET . 0.2 OUTLIER -79.7 153.41 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.736 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 89.6 m-85 -115.39 158.94 21.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -150.15 171.12 17.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -167.71 -67.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.115 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.04 34.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.243 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.39 2.74 80.7 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.173 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 35.3 mtm -101.74 151.77 21.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.443 HG13 ' HE3' ' A' ' 39' ' ' MET . 0.5 OUTLIER -91.35 123.57 43.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.614 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 4.0 mp -130.86 143.53 50.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.813 0.339 . . . . 0.0 110.786 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.781 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.3 p -73.36 170.24 15.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.342 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.556 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 29.0 mtp-105 -58.71 -45.54 89.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.37 -43.04 82.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.781 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.62 -45.13 69.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.114 -172.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' A' ' 72' ' ' LEU . 26.0 t80 -58.16 -45.17 87.9 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.407 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.3 mt -74.43 -31.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -73.92 -25.25 59.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.822 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD21 ' CE2' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -95.23 -62.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.293 -179.267 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CE2' HD21 ' A' ' 80' ' ' LEU . 85.5 m-85 -107.39 -87.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.001 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.816 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.075 -175.169 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.58 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.4 mp . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.986 0.422 . . . . 0.0 110.089 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.98 88.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.134 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -77.88 -24.51 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.73 0.3 . . . . 0.0 111.504 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.58 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 29.3 m-85 -92.3 -3.75 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -65.54 123.29 19.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.109 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.775 ' HE1' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -98.16 85.46 3.47 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.362 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.22 113.77 6.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.271 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.76 HG11 HD23 ' A' ' 36' ' ' LEU . 17.0 t -84.43 115.74 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.491 -174.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.36 118.66 28.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . 0.569 HG13 ' HD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -94.79 120.7 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.581 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.28 128.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.281 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 26.6 t70 -73.59 111.9 9.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.775 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.908 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.474 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 1.9 m0 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.503 0.192 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.49 45.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 110.457 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 1.7 tpt180 -69.9 128.92 38.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.32 153.85 20.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 110.808 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.15 -61.56 1.69 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.33 -73.37 0.54 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.551 -0.357 . . . . 0.0 113.184 -172.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.01 64.1 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.84 39.84 4.25 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.036 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.472 ' O ' ' HD2' ' A' ' 22' ' ' ARG . . . -130.22 -113.3 1.59 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.999 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -145.86 142.28 28.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.975 HG21 ' HB3' ' A' ' 44' ' ' HIS . 3.2 mt -74.04 108.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 11.51 14.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.371 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 4.6 m-20 -66.54 -86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.195 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.83 -73.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' HD2' HG13 ' A' ' 672' ' ' VAL . 1.8 m-85 -92.01 146.7 23.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.96 136.13 40.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.997 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.76 HD23 HG11 ' A' ' 670' ' ' VAL . 1.1 mt -109.48 135.01 51.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.639 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -99.07 113.38 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.743 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' HD22 ' A' ' 48' ' ' LEU . . . -108.78 -106.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 172.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.8 ptp -84.56 56.17 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.278 0.561 . . . . 0.0 110.484 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.28 -10.26 0.93 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.909 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 169.25 14.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.204 -0.31 . . . . 0.0 110.304 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -98.38 119.19 36.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 6.5 m95 -121.24 156.18 33.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.301 0.572 . . . . 0.0 111.41 -177.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.975 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -123.5 -171.75 2.37 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -34.99 78.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.368 0.531 . . . . 0.0 111.355 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 111.319 -179.168 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.664 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.76 -51.83 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 0.0 111.085 -178.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -77.39 71.02 3.85 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.219 -176.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.891 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.49 166.15 26.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.932 176.509 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.493 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.6 t -65.46 127.7 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -78.3 -2.33 37.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.228 0.537 . . . . 0.0 110.329 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.84 -30.78 9.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.813 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 93.8 m -103.49 -23.28 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 57.49 30.3 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.429 0.633 . . . . 0.0 110.163 -172.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.05 37.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.864 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -52.41 118.82 3.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.876 0.735 . . . . 0.0 111.431 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.891 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 1.1 mp -102.15 -21.24 14.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 -14.15 56.67 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.178 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -99.51 20.51 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.22 145.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.034 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.03 -13.19 83.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.626 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 122.84 19.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.284 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.12 128.08 34.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.105 -175.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.541 ' HB3' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -71.03 163.16 28.14 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.334 177.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.686 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 64.9 m-85 -127.1 161.32 28.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -175.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.57 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 1.3 t -152.83 171.11 18.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.573 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HD2' ' OH ' ' A' ' 77' ' ' TYR . 10.2 tttp -163.19 -70.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.3 51.37 1.09 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.294 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.74 28.01 72.77 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.023 175.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 mtm -122.01 129.67 52.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.375 0.588 . . . . 0.0 111.287 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.775 HG23 ' HE1' ' A' ' 668' ' ' MET . 0.3 OUTLIER -78.8 107.99 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HG ' ' HB3' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -126.89 161.01 29.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.865 -177.267 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.8 p -82.39 -177.45 6.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.686 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 2.0 tmm_? -65.11 -38.2 89.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.756 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.45 -40.85 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.766 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -66.05 -42.88 88.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.839 -173.705 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.465 ' OH ' ' HD2' ' A' ' 67' ' ' LYS . 46.1 t80 -62.68 -46.19 89.32 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.952 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.21 -31.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.344 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -46.88 29.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -57.18 5.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.093 -175.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -114.14 -107.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 0.0 111.322 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.435 0 CA-C-O 117.889 -1.506 . . . . 0.0 110.716 -174.486 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.745 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.7 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -27.4 68.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.403 -177.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -38.8 27.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.259 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.745 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.0 m-85 -73.33 -13.9 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.541 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.76 124.1 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.445 0.64 . . . . 0.0 112.41 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.3 ttp -109.75 111.56 23.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.796 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 146.36 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.53 110.86 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -89.17 117.9 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.008 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.54 132.53 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.632 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.12 118.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -81.07 88.06 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.646 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.838 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.461 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 1.6 m0 . . . . . 0 N--CA 1.466 0.33 0 CA-C-O 120.632 0.254 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB3' HD13 ' A' ' 30' ' ' ILE . 3.9 tptt -139.92 143.3 36.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.202 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 136.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 7.9 m -61.1 154.34 23.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.892 177.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.82 -27.21 8.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.366 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -103.53 -46.41 1.42 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.191 -0.528 . . . . 0.0 113.317 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.43 ' HB2' ' H ' ' A' ' 27' ' ' GLY . 2.6 m -75.64 -90.58 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.211 0.505 . . . . 0.0 110.747 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' H ' ' HB2' ' A' ' 26' ' ' CYS . . . 150.96 64.36 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.642 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.593 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -177.99 -132.85 1.77 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -119.58 142.22 48.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.997 0.427 . . . . 0.0 110.153 174.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.677 HG22 ' HB3' ' A' ' 44' ' ' HIS . 4.9 mt -67.73 109.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.28 28.8 4.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.059 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.49 ' H ' HG21 ' A' ' 30' ' ' ILE . 3.3 m-20 -95.91 -178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.526 177.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -100.09 -53.26 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.75 123.42 44.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.683 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.55 150.95 22.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.4 mm? -115.65 144.24 44.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 -176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.487 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -93.84 146.92 23.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.803 172.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.46 -100.4 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.22 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttm -86.4 55.84 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.016 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.59 -9.24 1.22 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.357 0.663 . . . . 0.0 112.706 172.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 170.16 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.661 0.267 . . . . 0.0 110.689 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -93.41 118.95 31.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -120.9 160.89 22.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.703 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -122.88 -167.07 1.53 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 168.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.563 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -62.51 -28.09 69.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.716 0.293 . . . . 0.0 111.502 -178.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -22.56 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.703 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -86.78 -52.87 5.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.155 0.503 . . . . 0.0 109.8 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.14 87.0 5.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.218 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.949 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.33 174.76 10.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.012 176.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.62 132.82 42.07 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.427 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.35 -3.84 48.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 -50.65 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.866 -175.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.62 -8.5 13.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.591 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.452 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.0 mm100 66.07 26.23 10.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.635 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.52 150.65 48.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.362 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.23 105.99 1.23 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.258 0.551 . . . . 0.0 111.551 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.949 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 3.8 mp -102.54 -8.8 20.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.044 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.563 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -92.88 -57.86 1.37 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.529 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.41 -0.02 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.41 0.624 . . . . 0.0 111.247 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mm -126.52 136.15 61.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.184 -0.917 . . . . 0.0 108.982 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.76 3.42 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.671 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.88 115.68 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 114.5 5.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.529 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.61 167.37 12.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.897 -178.532 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.787 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 78.1 m-85 -131.21 149.19 52.68 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 t -123.53 175.33 6.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.025 0.441 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -166.83 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 31.95 5.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.756 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.16 27.27 70.46 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 136.95 49.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.89 113.99 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.639 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 153.37 52.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.962 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -76.21 173.32 11.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.787 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -61.44 -34.52 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.926 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -82.58 -33.12 28.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.066 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.689 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -82.19 -37.94 25.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.922 -174.104 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -55.06 -41.66 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt -67.9 -35.6 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 111.2 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -38.8 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -58.34 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.2 -177.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.7 -67.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.907 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.168 -1.351 . . . . 0.0 110.98 -173.623 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 13.4 mt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' SER . . . . . 0.739 ' HA ' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -52.8 -53.89 41.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.619 -174.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.84 -10.07 59.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.634 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 89.5 m-85 -92.78 -22.23 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.86 -173.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.739 ' HE3' ' HA ' ' A' ' 664' ' ' SER . 0.1 OUTLIER -86.26 128.77 34.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.165 0.507 . . . . 0.0 110.735 -179.048 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 17.2 ptp -95.19 140.28 30.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.021 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -84.1 117.13 23.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 13.4 t -84.48 94.59 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.971 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.83 103.19 15.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.31 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.21 124.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.29 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.89 124.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 0.0 110.53 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.406 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 7.1 t70 -78.1 98.58 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.75 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.89 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.45 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.1 m-90 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.466 0.65 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 2.9 mmtm -133.59 124.8 27.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.355 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.24 115.63 30.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.967 0.413 . . . . 0.0 110.996 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 156.54 37.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.38 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.38 -7.55 59.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.87 -86.93 1.24 Allowed Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.004 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.6 p -70.18 -31.93 69.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.674 0.273 . . . . 0.0 110.77 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.68 90.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.659 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.91 -91.77 0.43 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.582 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -166.72 145.44 5.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 21' ' ' LYS . 80.9 mt -74.16 108.82 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.437 0.637 . . . . 0.0 110.925 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.54 19.25 20.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.676 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -89.39 175.25 7.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.885 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.9 -54.36 4.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.6 m-85 -100.98 132.11 46.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.4 147.94 25.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 173.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD12 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -126.99 156.33 41.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.965 0.412 . . . . 0.0 111.399 -172.232 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.7 OUTLIER -103.31 150.2 23.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.639 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.43 -79.6 0.5 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.277 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -98.5 -67.19 0.86 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.348 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -149.47 -1.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.424 . . . . 0.0 110.86 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.55 166.56 10.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.578 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.96 124.8 50.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -119.91 174.8 6.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.404 0.621 . . . . 0.0 111.413 -173.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.631 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -127.84 -179.03 4.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.391 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -62.38 -24.09 67.18 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -11.33 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -100.57 -53.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.715 0.293 . . . . 0.0 111.144 -178.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.48 83.91 4.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 110.735 -178.216 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 168.41 19.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.544 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 28.0 t -65.76 132.33 48.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.364 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -79.53 -6.31 56.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.036 0.446 . . . . 0.0 110.485 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -103.83 -51.72 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.974 -178.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.6 p -112.21 -0.64 15.46 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.525 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 12.9 mm100 66.19 30.09 9.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.355 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.544 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -67.86 123.64 21.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.38 75.77 0.55 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 73' ' ' CYS . 11.4 mt -64.81 -21.14 66.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.9 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . -80.81 -18.62 69.78 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.376 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -101.09 10.21 41.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.668 0.747 . . . . 0.0 110.637 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.47 150.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.526 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.07 49.47 1.83 Allowed Glycine 0 C--N 1.317 -0.484 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.957 173.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.61 132.86 37.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.846 0.355 . . . . 0.0 111.47 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.89 85.62 3.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.038 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 141.81 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 666' ' ' TYR . 79.0 m-85 -114.08 160.2 19.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.685 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -152.1 157.08 41.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.1 0.476 . . . . 0.0 111.259 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -71.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.738 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.52 18.96 0.39 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.603 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.07 76.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.199 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.1 mtm -102.12 139.1 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.615 -0.344 . . . . 0.0 110.302 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.99 123.71 37.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 HD13 ' A' ' 80' ' ' LEU . 3.7 mp -134.61 148.95 50.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.492 0.187 . . . . 0.0 110.538 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 25.9 p -72.81 168.8 18.1 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.99 0.424 . . . . 0.0 110.513 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -61.5 -36.41 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.786 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -41.08 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.745 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.61 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -70.75 -48.71 53.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.193 -175.11 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 26.5 t80 -58.99 -47.59 84.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.582 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -40.57 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -69.96 -42.83 72.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.021 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD13 HD21 ' A' ' 72' ' ' LEU . 39.0 mt -76.56 -62.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.823 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.435 ' HE1' HD22 ' A' ' 72' ' ' LEU . 34.7 m-85 -101.42 -71.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.827 -173.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.907 0 CA-C-O 118.977 -0.902 . . . . 0.0 111.666 -173.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 77' ' ' TYR . 7.5 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.378 0.609 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' SER . . . . . 0.494 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -60.11 -27.08 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.839 -178.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -83.09 -19.11 37.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -90.74 -20.71 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.11 0.481 . . . . 0.0 110.138 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -78.5 141.17 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.23 178.714 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 39' ' ' MET . 1.2 mtm -89.7 124.41 34.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.24 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 111.24 6.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.408 . . . . 0.0 109.928 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 5.0 t -83.53 107.54 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.426 -170.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.3 m -89.94 112.76 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.406 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.53 113.35 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.651 0.262 . . . . 0.0 110.392 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.0 mp -84.81 125.62 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.397 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -92.03 117.8 30.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.735 0.779 . . . . 0.0 110.325 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.79 -174.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.535 ' CZ3' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 120.925 0.393 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 6.4 mmtm -108.48 95.16 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.4 134.1 45.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.902 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.706 ' HB3' HG13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -89.89 154.18 20.06 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -175.006 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.54 -59.32 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -167.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.15 -65.04 3.32 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.193 -171.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -38.36 89.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.11 20.1 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.563 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.87 -146.73 9.13 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 1.4 mppt? -113.1 133.0 55.22 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.706 HG13 ' HB3' ' A' ' 23' ' ' CYS . 8.0 mt -68.16 105.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.3 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.05 11.97 27.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.588 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -176.72 6.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.004 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -63.73 1.27 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.683 0.278 . . . . 0.0 111.103 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.7 m-85 -97.34 125.27 41.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 111.308 -173.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.71 144.07 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 36' ' ' LEU . 2.5 mm? -109.45 141.08 42.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.15 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -103.79 102.56 12.39 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.729 173.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.589 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -101.68 -96.83 0.28 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.564 ' HG3' ' SD ' ' A' ' 668' ' ' MET . 8.6 mtt -64.68 -50.01 68.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.629 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 172.75 -14.61 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.694 0.759 . . . . 0.0 109.158 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.93 171.09 11.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.369 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -92.82 116.2 28.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.533 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 10.3 m95 -113.29 173.01 6.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.271 0.558 . . . . 0.0 110.746 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.3 p80 -135.98 -175.78 4.09 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.637 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -55.52 -45.38 77.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.744 0.247 . . . . 0.0 111.582 -178.182 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.734 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -81.67 -6.62 59.19 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -175.211 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.98 -47.09 7.77 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.858 -0.526 . . . . 0.0 110.328 177.323 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 38' ' ' ALA . 4.5 mt -76.46 73.87 3.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.925 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 151.9 45.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.124 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.1 t -61.1 135.89 57.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -0.55 30.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.159 0.504 . . . . 0.0 110.506 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.9 -34.04 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 85.5 m -92.45 -35.4 13.67 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.71 0.29 . . . . 0.0 110.745 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 19.67 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.161 -169.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.26 130.24 35.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.804 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.734 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.81 108.98 10.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -176.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.41 -1.3 57.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.25 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -61.67 -25.16 65.12 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.948 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -99.95 12.42 36.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.353 0.597 . . . . 0.0 110.864 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -117.11 140.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.207 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.94 13.83 35.38 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.944 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.73 124.94 42.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.723 0.297 . . . . 0.0 110.236 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.447 ' HB2' ' HG3' ' A' ' 667' ' ' LYS . 1.1 m -79.96 130.32 35.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.451 . . . . 0.0 111.171 -175.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.24 172.56 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 177.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.782 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 77.4 m-85 -115.04 157.52 23.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 159.37 42.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 68' ' ' SER . 2.7 tttm -159.55 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.775 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -81.38 60.28 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.588 -177.289 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.47 28.46 71.23 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.234 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.7 mtm -139.06 139.43 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.706 0.253 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.74 112.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.448 . . . . 0.0 109.814 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.56 155.91 27.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.634 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.86 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -68.94 176.31 3.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.812 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.782 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -59.88 -48.02 83.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.815 -178.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.15 -39.8 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.86 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.55 -42.57 74.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.857 -175.025 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' HE2' HD21 ' A' ' 663' ' ' LEU . 32.3 t80 -58.47 -46.19 87.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.701 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.432 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 32.7 mt -65.46 -37.27 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.024 0.44 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.099 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.97 -56.43 3.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.428 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -118.1 -71.19 0.75 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -175.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.649 -1.084 . . . . 0.0 111.743 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.544 HD12 HD11 ' A' ' 78' ' ' ILE . 2.5 mt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' SER . . . . . 0.88 ' HA ' ' HG3' ' A' ' 667' ' ' LYS . 70.1 m -66.77 -21.71 66.05 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.234 -0.291 . . . . 0.0 111.441 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -23.06 56.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -100.86 10.02 41.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.725 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.88 ' HG3' ' HA ' ' A' ' 664' ' ' SER . 0.9 OUTLIER -72.8 136.08 45.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.39 0.614 . . . . 0.0 111.433 -176.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.411 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 26.4 ttp -117.59 120.05 36.88 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.258 172.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.83 126.59 39.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.231 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -84.27 118.14 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.693 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 140.52 29.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.71 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.61 119.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.679 0.276 . . . . 0.0 110.966 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.659 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.79 127.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.58 110.72 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.844 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.515 ' CH2' ' HE2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -121.28 140.64 51.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.512 . . . . 0.0 111.803 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.71 138.61 31.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' HB3' HG13 ' A' ' 30' ' ' ILE . 8.3 p -91.77 154.8 18.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.092 0.472 . . . . 0.0 112.257 -171.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.523 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -68.91 -71.24 1.0 Allowed Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.399 -0.429 . . . . 0.0 113.476 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.09 -42.84 69.8 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 110.725 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.99 40.11 7.2 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.831 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.89 -78.23 0.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.816 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -176.35 143.32 0.5 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.645 HG23 ' HB3' ' A' ' 44' ' ' HIS . 14.4 mt -73.02 109.11 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.113 0.482 . . . . 0.0 110.476 178.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 35.16 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.665 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.582 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -90.89 -111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.388 176.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' H ' ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -155.8 -67.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.229 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -96.05 145.3 25.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.576 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.659 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 5.8 mp -93.43 139.11 31.06 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 -177.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 48' ' ' LEU . 3.1 mt -107.95 123.01 48.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -91.08 109.03 20.27 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.705 -177.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB1' ' SD ' ' A' ' 668' ' ' MET . . . -132.35 131.54 42.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.0 mtm 67.95 -61.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 124.106 0.878 . . . . 0.0 111.311 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -171.14 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.567 0.347 . . . . 0.0 110.601 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.63 169.82 8.4 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.794 0.33 . . . . 0.0 111.385 -171.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.68 117.1 33.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.586 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.596 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m95 -113.84 172.91 6.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.149 0.5 . . . . 0.0 110.935 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.8 p80 -131.94 -173.75 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -53.64 -46.26 70.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.047 0.385 . . . . 0.0 112.028 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.53 -6.89 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.926 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -99.85 -49.18 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.197 177.347 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.596 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -77.8 69.29 4.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.317 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.627 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -143.39 157.47 44.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.805 177.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 26.6 p -72.28 145.97 47.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.884 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -9.65 59.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -176.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.16 -47.47 6.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 -9.24 14.68 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.615 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER 64.83 40.27 5.61 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.56 -176.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . . . -77.35 106.43 9.1 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 1.1 mm100 -62.12 90.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 110.865 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 73' ' ' CYS . 4.0 mt -68.67 -16.56 63.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 -11.54 66.1 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.242 175.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.19 -6.55 27.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.311 1.053 . . . . 0.0 109.625 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 57' ' ' LEU . 21.8 mt -106.32 109.21 27.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.616 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.55 -4.34 84.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.346 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.71 157.24 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -59.75 117.04 4.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.46 -176.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.73 172.99 7.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.74 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -126.45 158.3 36.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.634 0.254 . . . . 0.0 110.767 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -152.59 170.92 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.354 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -161.2 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -83.03 34.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.955 -175.805 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.2 71.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.525 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.04 143.06 46.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.695 0.283 . . . . 0.0 110.328 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 0.6 OUTLIER -102.01 108.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.624 178.677 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.744 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.7 OUTLIER -123.43 156.72 34.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.666 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.3 p -75.3 174.6 9.31 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.02 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -57.75 -38.24 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -29.85 31.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.714 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.744 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.44 -51.6 28.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -174.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.44 ' OH ' ' HE2' ' A' ' 67' ' ' LYS . 46.2 t80 -55.57 -43.9 76.34 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.45 0.469 . . . . 0.0 111.16 -175.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.544 HD11 HD12 ' A' ' 663' ' ' LEU . 12.5 mm -62.02 -39.64 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.822 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 79' ' ' ARG . 9.5 ttp85 -76.42 -40.39 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.112 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -56.31 5.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -178.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -119.75 -80.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.022 0.439 . . . . 0.0 110.485 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 CA-C-O 118.615 -1.103 . . . . 0.0 111.109 -176.1 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.653 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 3.6 mp . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.149 0.5 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -35.66 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.959 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -83.9 -9.57 58.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.307 0.575 . . . . 0.0 110.473 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.653 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.1 m-30 -93.32 -17.43 23.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 145.34 37.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 111.767 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.407 ' HE1' ' HE3' ' A' ' 39' ' ' MET . 19.8 ptp -103.41 152.82 21.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.75 117.49 29.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.74 95.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.357 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -97.18 144.26 27.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.55 129.37 75.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.11 122.99 38.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.134 0.492 . . . . 0.0 110.287 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.28 77.93 4.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.966 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.438 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -138.56 138.51 38.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.291 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.11 130.15 44.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.7 p -82.34 154.77 25.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.123 0.487 . . . . 0.0 111.545 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.75 -21.93 24.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.67 -169.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -79.73 1.02 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.19 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 111.334 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 44.1 1.94 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.059 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 174.01 21.58 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -71.63 126.63 30.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.36 0.58 . . . . 0.0 109.531 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -65.75 108.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.213 0.53 . . . . 0.0 110.884 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.11 15.08 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.69 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 155.96 27.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.738 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 3.3 ttp180 -72.99 -55.34 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.306 -177.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.738 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 4.5 m-85 -100.86 121.89 42.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.969 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 151.5 19.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.641 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 HD23 ' HA3' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -119.94 163.04 18.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.984 0.421 . . . . 0.0 111.457 -175.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -117.21 148.98 41.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.625 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.18 -74.64 0.42 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.407 ' HE3' ' HE1' ' A' ' 668' ' ' MET . 1.8 mtm -91.15 -76.77 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.326 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -151.02 -0.02 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.015 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.3 168.04 12.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.404 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -103.39 123.02 46.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.529 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.5 m95 -118.65 -179.89 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 0.0 111.179 -174.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.8 p80 -145.93 -171.48 3.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.717 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -50.19 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -77.49 -11.73 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -102.18 -43.03 5.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.038 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD23 ' CG ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -76.85 71.44 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.466 0.65 . . . . 0.0 110.522 -176.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.2 164.46 30.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.654 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 48.8 t -60.62 131.78 51.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.479 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -78.7 -7.16 57.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.142 0.496 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.483 ' HB3' ' CG ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -98.37 -51.76 3.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.668 -176.109 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.46 -4.67 13.55 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.681 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 6.2 mm100 66.91 37.54 3.94 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.422 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.64 133.89 35.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.75 126.44 29.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.0 110.994 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' ' 64' ' ' SER . 2.9 mt -105.57 1.24 27.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.064 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA3' HD23 ' A' ' 36' ' ' LEU . . . -92.1 -52.96 2.12 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.604 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.5 8.15 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.44 0.638 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.88 143.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.897 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.65 39.87 1.32 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.142 -0.552 . . . . 0.0 113.612 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.22 126.28 47.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.767 0.284 . . . . 0.0 110.661 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 119.79 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.659 ' HB3' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.73 135.43 38.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.403 . . . . 0.0 110.653 179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.84 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 72.9 m-85 -112.62 152.57 28.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.14 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -142.81 178.24 7.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 0.0 111.158 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 7.1 tttp -164.73 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.248 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.02 39.39 1.8 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.637 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.92 -25.1 3.61 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 116.02 -0.537 . . . . 0.0 113.265 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.51 ' HB3' HD12 ' A' ' 72' ' ' LEU . 19.8 ttm -68.31 137.57 54.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.14 122.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.908 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 70' ' ' MET . 3.6 mp -133.7 156.66 47.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.722 0.296 . . . . 0.0 110.924 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.0 p -76.95 176.35 8.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.147 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.84 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 6.7 ttt85 -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -45.37 22.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.71 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -69.37 -39.98 77.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.496 -175.664 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.58 ' HD2' HD23 ' A' ' 663' ' ' LEU . 49.8 t80 -62.84 -42.77 99.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.361 -177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.601 HD11 HD21 ' A' ' 663' ' ' LEU . 12.0 mm -68.6 -33.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.503 . . . . 0.0 110.284 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 ttm105 -69.87 -39.56 76.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.418 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -83.53 -60.45 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.82 -176.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.41 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 30.4 m-85 -119.99 -92.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.881 0.372 . . . . 0.0 110.938 -175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.704 -1.053 . . . . 0.0 111.623 -177.303 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.045 0.45 . . . . 0.0 110.339 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -34.74 77.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 -174.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -23.84 67.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.166 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.15 8.42 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.702 -175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.28 123.9 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.756 0.313 . . . . 0.0 110.741 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.461 ' HE2' ' SD ' ' A' ' 39' ' ' MET . 10.1 ptp -90.82 153.33 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.545 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -99.58 113.15 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.976 0.417 . . . . 0.0 110.653 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.2 t -84.76 94.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -89.87 110.45 21.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 177.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.82 122.03 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 35' ' ' LEU . 3.6 mp -96.36 123.12 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 4.9 m-20 -79.67 102.25 8.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.042 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.556 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -119.93 136.54 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.8 tpt180 -92.27 144.95 24.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 25' ' ' GLY . 29.7 t -90.98 154.66 19.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.85 16.29 15.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.218 0.532 . . . . 0.0 110.51 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 23' ' ' CYS . . . -111.0 -54.95 0.52 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.275 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 p -94.91 -95.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.506 0.653 . . . . 0.0 110.802 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.39 77.3 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.14 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.1 -152.16 23.71 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.272 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -100.42 157.56 16.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.563 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.846 HG22 ' HB3' ' A' ' 44' ' ' HIS . 13.3 mt -73.49 109.4 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.78 10.69 28.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -82.45 11.4 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.486 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER 72.43 -68.52 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.092 -176.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.9 m-85 -93.66 126.55 38.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.155 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.09 147.64 25.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.169 179.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.9 164.27 20.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.618 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -116.85 150.0 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.108 178.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 -86.82 0.33 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.136 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.461 ' SD ' ' HE2' ' A' ' 668' ' ' MET . 4.6 mpp? -83.34 -79.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.24 177.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -137.68 -7.33 1.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.44 170.26 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.687 -169.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -89.64 137.3 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.844 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 22.0 m95 -134.27 179.5 6.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.015 0.436 . . . . 0.0 110.684 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.846 ' HB3' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -145.66 174.26 11.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.535 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -49.3 21.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.59 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -172.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.897 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 1.2 m -101.6 -32.79 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.57 ' HG ' ' CB ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -75.67 68.08 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.628 0.727 . . . . 0.0 109.844 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.897 ' HZ2' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -131.56 162.76 29.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.209 -177.312 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 40.7 t -63.19 132.11 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.219 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -75.06 -9.37 58.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.126 0.488 . . . . 0.0 110.453 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 -51.3 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.06 0.25 14.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.453 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 66.75 20.94 10.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.214 177.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.02 117.1 7.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.44 0.162 . . . . 0.0 110.568 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 58.8 mt-30 -75.12 86.11 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -22.57 58.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.237 -176.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.45 -14.06 71.58 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.683 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -98.25 8.67 44.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.489 0.661 . . . . 0.0 110.216 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.9 mt -117.18 -58.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.356 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 -19.84 11.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.143 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.87 143.48 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.49 118.44 8.14 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.455 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 179.7 7.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.972 172.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.584 ' HE1' ' HB3' ' A' ' 74' ' ' ARG . 92.3 m-85 -124.84 166.48 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.71 0.29 . . . . 0.0 110.754 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 t -158.05 175.09 14.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -167.3 -65.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.806 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.26 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.95 -24.29 2.87 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.257 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtm -78.2 141.14 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.633 -0.333 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.79 123.63 42.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.23 149.06 52.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.75 0.309 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.7 p -71.39 170.56 12.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.585 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.584 ' HB3' ' HE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.26 -29.81 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.76 -45.56 24.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.724 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.606 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -74.55 -38.19 62.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.077 -172.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.539 ' HE2' HD21 ' A' ' 663' ' ' LEU . 50.5 t80 -58.69 -43.58 90.05 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.145 -176.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.76 -32.26 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.161 0.505 . . . . 0.0 110.695 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -72.66 -38.19 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.454 178.42 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -62.59 1.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.779 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.28 -80.91 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.482 -172.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.727 -1.04 . . . . 0.0 110.674 -171.296 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.628 HD22 ' HE2' ' A' ' 77' ' ' TYR . 23.1 mt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' SER . . . . . 0.435 ' HA ' ' HD2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -64.89 -29.83 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.633 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.93 -28.43 62.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.512 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 663' ' ' LEU . 5.0 m-85 -93.14 -10.14 36.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 7.7 mttt -65.73 121.32 14.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' MET . . . . . 0.429 ' HB3' ' HE1' ' A' ' 668' ' ' MET . 16.6 ptp -91.3 123.12 34.5 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.198 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.78 114.42 16.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.026 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 11.5 t -83.77 94.99 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 109.674 178.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 106.65 18.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.731 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -85.6 115.28 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.811 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 mp -84.94 122.55 38.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.618 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 1.2 t70 -73.06 95.32 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.171 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.495 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.973 0.416 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 1.8 tptt -122.3 130.97 53.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.48 135.47 50.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 -179.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.17 135.92 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -44.76 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -164.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -69.06 -65.01 2.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.552 -175.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -31.73 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.514 0.197 . . . . 0.0 111.16 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.83 44.97 5.29 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.57 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.88 -116.48 1.63 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.861 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.7 OUTLIER -145.98 143.95 29.8 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.271 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.6 HG21 ' HB3' ' A' ' 44' ' ' HIS . 3.5 mt -75.96 106.44 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.27 0.557 . . . . 0.0 110.351 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.24 14.46 10.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -67.9 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.039 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.645 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -165.91 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.856 173.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.645 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 3.8 m-85 -101.31 148.89 24.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.468 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.81 126.46 41.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.666 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' HA3' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -113.49 135.34 54.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.038 0.447 . . . . 0.0 110.819 -178.489 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -92.12 149.15 21.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.159 176.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.57 -50.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 110.697 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -133.39 -73.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.27 -8.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.232 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.52 167.7 10.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.695 -175.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.58 129.07 47.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.686 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.597 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -125.39 169.06 12.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.389 0.614 . . . . 0.0 111.034 -176.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.7 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -123.79 -171.41 2.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 170.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.496 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -62.18 -37.57 85.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.129 0.422 . . . . 0.0 111.396 -175.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -14.01 58.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.744 -177.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.7 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.83 -52.3 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 1.2 mt -78.58 83.9 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.393 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.49 157.71 45.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.469 179.129 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 51.9 t -62.18 131.19 48.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m -69.23 -11.29 60.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.999 0.428 . . . . 0.0 110.177 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -41.75 5.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.06 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.784 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 64.7 m -84.19 -34.82 23.89 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 9.7 mm100 66.69 13.22 9.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.42 -167.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 53' ' ' CYS . . . -79.25 130.93 35.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.392 176.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.835 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -68.51 95.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.176 -174.611 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 19.5 mt -65.97 -21.08 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.218 0.532 . . . . 0.0 109.965 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' HA3' HD11 ' A' ' 36' ' ' LEU . . . -77.31 -13.1 83.94 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.162 175.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -100.04 -5.63 27.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.387 0.613 . . . . 0.0 110.336 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.08 104.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.36 47.27 2.01 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.173 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 129.43 49.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 113.25 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 112.018 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -178.89 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.694 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.647 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 79.5 m-85 -131.71 154.8 48.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.439 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 5.0 t -139.96 159.49 42.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.738 173.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -161.15 -63.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.027 0.441 . . . . 0.0 110.656 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.23 13.73 3.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.768 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.26 61.93 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.292 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -113.44 145.04 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.611 0.243 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.17 108.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 161.07 30.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.877 0.37 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.4 p -72.47 176.25 5.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.243 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -65.88 -33.49 75.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.566 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -80.06 -45.37 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.682 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -65.06 -36.71 85.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.22 -176.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.628 ' HE2' HD22 ' A' ' 663' ' ' LEU . 28.3 t80 -63.69 -44.35 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.228 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.27 -39.59 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.013 0.435 . . . . 0.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.1 -38.72 89.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.485 177.096 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 1.1 mp -75.85 -52.48 10.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.306 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 64.3 m-85 -126.89 -79.73 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.921 0.391 . . . . 0.0 111.232 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.258 -1.301 . . . . 0.0 111.05 -174.84 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' LEU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.683 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -41.98 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.024 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -17.66 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.477 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' TYR . . . . . 0.748 ' HD2' ' HB3' ' A' ' 663' ' ' LEU . 51.1 m-85 -100.43 -5.18 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.351 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 12.5 mttp -69.57 117.99 11.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.806 -177.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.88 136.69 42.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.632 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.58 138.59 36.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.004 0.43 . . . . 0.0 110.438 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' VAL . . . . . 0.466 HG11 HD21 ' A' ' 36' ' ' LEU . 2.5 t -103.32 95.0 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 -177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.16 112.02 22.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.843 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' VAL . . . . . 0.532 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -89.34 134.82 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -179.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.42 133.3 59.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.642 0.258 . . . . 0.0 110.761 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' ASP . . . . . 0.567 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 9.1 t70 -74.8 118.82 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.986 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HB2' HD13 ' A' ' 30' ' ' ILE . 39.7 mmtt -122.29 131.05 53.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 126.43 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.67 154.04 26.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.38 -5.42 20.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.76 -55.8 1.96 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.501 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 p -96.48 -26.09 15.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.934 0.367 . . . . 0.0 110.709 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.57 2.81 58.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.746 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.03 -159.64 23.47 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -99.88 151.64 21.06 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.917 HG22 ' HB3' ' A' ' 44' ' ' HIS . 21.7 mt -67.2 108.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.422 -178.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.29 25.96 8.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 1.2 t0 -90.49 -169.18 2.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.021 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -70.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 4.2 m-85 -102.97 143.57 32.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.968 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 pp -100.5 149.78 23.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 174.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 HD21 HG11 ' A' ' 670' ' ' VAL . 1.1 mp -124.37 162.88 22.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -175.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.92 149.39 31.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.173 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -143.03 -98.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptp -84.1 52.85 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.423 0.63 . . . . 0.0 110.058 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.89 27.85 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.964 178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.36 9.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.658 ' HB3' HD12 ' A' ' 30' ' ' ILE . 6.3 m-85 -88.11 131.99 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.434 ' NE1' ' HB1' ' A' ' 38' ' ' ALA . 17.8 m95 -134.65 165.51 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.26 0.552 . . . . 0.0 111.608 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.917 ' HB3' HG22 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.7 167.94 20.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 172.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -29.69 34.63 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -172.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -41.6 73.64 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -98.37 -31.39 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.514 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -76.69 69.69 3.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.576 0.703 . . . . 0.0 109.955 177.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -145.38 165.5 28.31 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.342 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 51.0 t -60.75 134.27 56.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.915 174.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.4 ' OG ' HD13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -80.02 -8.86 59.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 178.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.532 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.39 -46.0 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.326 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -109.47 -13.46 14.57 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.067 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 68.62 22.08 7.7 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.258 174.647 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.68 127.68 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 2.4 mp0 -59.77 97.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.428 0.455 . . . . 0.0 111.34 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -64.8 -23.33 67.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -176.75 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.9 -28.45 66.83 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.583 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -92.1 6.44 46.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.916 -177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.2 mt -120.52 -54.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.27 23.24 22.63 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.185 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 127.32 32.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.337 -0.432 . . . . 0.0 111.317 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.41 96.71 0.08 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.25 165.38 24.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.765 -176.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 81.7 m-85 -123.09 153.77 39.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.149 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -136.21 162.65 32.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 666' ' ' TYR . 15.2 tttp -160.69 -78.48 0.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.59 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 33.73 0.59 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.165 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.77 17.17 80.07 Favored Glycine 0 C--N 1.329 0.189 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.07 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -178.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 HD13 ' OG ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -84.18 115.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.984 177.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 77' ' ' TYR . 2.9 mp -131.63 148.73 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.752 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.678 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 24.1 p -74.61 173.43 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 74' ' ' ARG . 1.9 ttm180 -57.79 -46.23 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.225 -176.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.78 -44.96 60.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.678 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -68.01 -37.65 81.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.869 -172.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' HA ' HD22 ' A' ' 72' ' ' LEU . 33.4 t80 -59.89 -44.0 94.46 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.741 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.23 -36.41 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -67.62 -44.61 77.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -80.24 -62.15 1.77 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.98 -175.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 63.3 m-85 -107.07 -90.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 -173.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.789 -1.006 . . . . 0.0 111.461 -176.527 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.688 0.28 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.1 32.42 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.452 0.644 . . . . 0.0 110.365 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -93.91 64.18 3.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.583 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.59 61.18 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.761 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -172.42 100.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.13 174.77 9.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -78.51 122.69 26.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 0.0 110.379 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.73 -4.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.703 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.3 m -149.4 49.07 0.96 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.242 -0.286 . . . . 0.0 111.324 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . 0.442 ' HB3' ' H ' ' A' ' 651' ' ' GLU . 3.4 t80 -162.0 -99.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . 0.733 ' HA ' ' HG3' ' A' ' 654' ' ' GLN . 4.5 pt-20 -77.05 -20.7 55.54 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -166.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -62.69 -29.92 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.26 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.82 54.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.362 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . 0.733 ' HG3' ' HA ' ' A' ' 651' ' ' GLU . 3.5 mt-30 -80.89 74.79 7.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -100.13 150.77 22.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.05 133.46 39.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.754 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.1 pt -110.41 165.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.09 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.37 147.76 98.81 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.088 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.14 65.55 3.45 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.118 2.545 . . . . 0.0 112.842 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.36 51.03 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.247 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -88.9 -31.17 18.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.1 48.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 29.3 mt -95.04 31.65 1.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.206 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.49 70.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.647 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -72.45 -26.04 61.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.824 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -97.12 -6.62 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -77.73 149.22 34.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.108 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.412 ' SD ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.71 152.89 38.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.101 174.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.3 116.5 31.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.26 94.17 3.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.622 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 3.2 m -88.31 113.42 23.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.144 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . 0.471 HG11 ' HD2' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -90.67 106.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.091 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 35' ' ' LEU . 1.8 mp -84.95 123.61 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.045 0.45 . . . . 0.0 110.233 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.61 138.15 31.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 110.718 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.16 111.18 22.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.891 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -2.07 31.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 111.022 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.16 102.89 13.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 122.21 -15.24 8.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.259 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.4 m -79.4 -8.95 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.628 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 683' ' ' LEU . 11.1 mp0 -110.42 102.29 10.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.411 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -23.2 67.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.941 0.401 . . . . 0.0 111.215 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -85.9 2.15 47.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.45 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 680' ' ' GLN . 0.2 OUTLIER -63.69 -47.49 81.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 0.0 110.875 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 172.21 -172.44 44.82 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -85.29 57.56 4.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.214 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 60.51 -129.26 46.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.085 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -99.58 7.24 59.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.85 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.27 -53.43 2.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -78.83 75.62 2.0 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 134.09 123.61 2.39 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -92.55 79.33 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 0.0 110.497 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.67 76.8 3.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.706 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -64.29 115.44 7.88 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.963 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 2.5 m -100.86 135.59 42.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.798 0.332 . . . . 0.0 110.552 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -80.65 -20.13 66.77 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.321 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -77.41 114.93 4.15 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.438 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD21 ' HA ' ' A' ' 18' ' ' LEU . 15.8 mt -113.73 -8.53 13.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.695 0.283 . . . . 0.0 110.927 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -35.96 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.702 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 58.81 -114.49 0.74 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.268 -177.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HD2' ' CE2' ' A' ' 42' ' ' TYR . 10.1 mmtt -120.54 124.02 44.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -79.78 130.81 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.48 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.58 147.14 26.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.92 2.4 40.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.82 -55.94 1.27 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.654 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.54 -18.47 21.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.186 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.27 72.24 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.177 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.51 -140.07 11.21 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.843 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 148.49 38.15 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 48.3 mt -76.84 109.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.109 0.481 . . . . 0.0 110.445 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.58 14.36 23.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.389 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.57 175.49 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.449 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HD1' ' A' ' 34' ' ' PHE . 8.1 tpt85 -76.69 -68.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 110.522 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HD1' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m-85 -101.86 123.69 46.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.465 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.667 HD12 HD12 ' A' ' 673' ' ' ILE . 1.3 pp -98.66 147.03 25.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.27 161.08 21.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.546 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.622 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -110.32 140.14 44.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.895 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -152.61 123.27 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.672 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 69.5 -72.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.969 0.793 . . . . 0.0 110.706 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -166.13 -2.1 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.715 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.17 170.01 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.989 -0.444 . . . . 0.0 111.394 -174.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' CE2' ' HD2' ' A' ' 21' ' ' LYS . 14.2 m-85 -93.01 135.32 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.174 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.443 ' NE1' ' HB1' ' A' ' 38' ' ' ALA . 3.8 m95 -137.63 179.05 6.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.236 0.541 . . . . 0.0 111.139 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -147.87 -178.32 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -54.81 10.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -77.76 -20.87 52.64 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -170.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.463 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 19.7 m -96.64 -36.04 10.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.181 0.446 . . . . 0.0 111.274 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -79.85 87.18 5.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -144.47 176.06 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.805 -178.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.9 t -71.91 137.61 47.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.484 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -79.52 -4.74 52.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.191 0.519 . . . . 0.0 110.227 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.25 -37.48 5.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.757 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 96.7 m -90.77 -34.96 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.201 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.41 9.53 6.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.554 -170.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.95 122.28 22.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.395 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.612 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 27.8 mt-30 -54.95 102.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.732 0.645 . . . . 0.0 111.156 -176.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.801 HD21 ' HG ' ' A' ' 64' ' ' SER . 0.3 OUTLIER -69.07 -22.88 63.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.285 -177.01 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -10.48 85.71 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.86 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.43 3.34 43.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.479 0.657 . . . . 0.0 110.133 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.01 -46.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.782 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.2 22.0 31.06 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.616 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.13 127.31 32.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.322 . . . . 0.0 111.302 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.42 88.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.988 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.801 ' HG ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -75.52 171.39 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.578 -177.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' HE1' ' HG3' ' A' ' 74' ' ' ARG . 89.3 m-85 -131.31 170.75 14.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.009 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 t -146.02 179.61 7.36 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.932 0.396 . . . . 0.0 110.652 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -166.19 -63.89 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.8 36.65 2.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.231 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.02 -24.62 8.75 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.062 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.82 138.51 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.558 0.218 . . . . 0.0 110.65 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.41 108.97 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.987 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.87 149.61 41.26 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.857 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 29.9 p -65.01 170.07 4.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.541 ' HG3' ' HE1' ' A' ' 65' ' ' TYR . 7.8 ttp180 -49.69 -49.48 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.689 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -78.91 -33.78 45.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.215 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.857 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -67.2 -38.61 85.63 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.5 -43.64 89.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.849 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.454 ' H ' HG13 ' A' ' 78' ' ' ILE . 2.3 mt -68.12 -35.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.627 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -36.59 60.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.853 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -83.12 -61.02 1.97 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.981 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.13 -91.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.357 -1.246 . . . . 0.0 111.356 -175.351 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.879 0.371 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.2 tp -122.92 126.6 47.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.052 0.454 . . . . 0.0 110.004 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.25 63.45 1.17 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.443 0.639 . . . . 0.0 109.327 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -78.29 81.43 4.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.614 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -61.03 103.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.408 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -67.22 138.39 56.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -78.9 111.82 15.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.956 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.88 0.23 10.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.11 120.27 20.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.39 137.41 52.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.38 -39.96 67.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.496 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -60.83 -50.1 74.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.0 OUTLIER -118.14 83.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.764 178.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -97.78 -6.38 32.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.188 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -83.39 164.44 19.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 85.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.11 0.481 . . . . 0.0 111.571 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.21 163.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.71 131.22 77.21 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.13 -32.61 93.86 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.911 2.407 . . . . 0.0 112.763 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 153.49 32.39 0.03 OUTLIER Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.971 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.43 -12.94 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.219 0.51 . . . . 0.0 110.221 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.91 129.29 29.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.063 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.464 HD23 ' HE2' ' A' ' 77' ' ' TYR . 6.6 mt -90.63 59.43 4.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -43.66 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.335 0.588 . . . . 0.0 110.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.75 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.227 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -81.51 -3.41 53.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.312 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.47 146.83 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.208 0.528 . . . . 0.0 111.348 -176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.711 ' HE3' HG22 ' A' ' 71' ' ' ILE . 4.9 ptt? -137.28 125.41 23.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.964 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.31 145.4 27.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.042 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.547 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.8 t -92.02 106.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.333 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.647 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -88.72 109.06 19.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.066 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.06 118.66 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.261 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.632 HG21 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -89.4 125.99 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.302 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.05 118.48 30.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.572 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' THR . . . . . 0.631 HG21 ' HA ' ' A' ' 679' ' ' SER . 0.1 OUTLIER -80.22 73.57 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.923 -179.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.479 ' H ' ' HG3' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -75.63 -66.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.702 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.71 72.58 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 68.63 -100.12 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.492 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' SER . . . . . 0.631 ' HA ' HG21 ' A' ' 675' ' ' THR . 0.6 OUTLIER -101.44 -35.2 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.784 0.326 . . . . 0.0 110.64 176.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.449 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 0.0 OUTLIER -174.11 141.55 0.77 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.32 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.85 -27.9 67.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.645 177.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 13.29 22.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.763 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 0.8 OUTLIER -86.47 -32.17 20.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 179.051 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 86.37 -72.86 2.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.354 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 94.0 17.01 42.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.328 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 114.2 -156.18 15.81 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.328 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -159.84 -59.09 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.25 91.74 3.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -116.01 -112.39 2.78 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 179.5 -65.79 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -112.39 136.71 51.53 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 2.9 tpt -78.76 78.93 5.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.707 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -133.78 78.32 0.36 Allowed Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.422 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 57.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.882 0.372 . . . . 0.0 111.982 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -89.99 16.24 57.49 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.285 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -170.22 116.91 0.67 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -160.14 -174.54 4.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.642 0.258 . . . . 0.0 110.718 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.547 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -91.7 -33.45 15.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 54.21 -124.01 2.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.921 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -110.29 145.88 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.889 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 139.05 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.46 155.7 16.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.838 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.27 -2.68 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.92 -47.58 2.44 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.966 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 p -99.26 -46.85 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.84 6.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.015 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.02 -146.64 20.63 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.222 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 19' ' ' SER . 1.1 mtmt -92.91 145.27 24.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 44' ' ' HIS . 95.7 mt -76.28 108.52 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.788 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.85 15.03 29.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.438 0.637 . . . . 0.0 110.23 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' H ' HG23 ' A' ' 30' ' ' ILE . 3.2 t0 -80.5 175.06 11.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.32 175.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -65.0 1.06 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.546 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -101.94 126.25 48.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.282 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.632 HD12 HG21 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.12 148.62 22.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.44 145.21 51.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.976 0.417 . . . . 0.0 111.384 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.647 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -91.78 131.35 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.403 173.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.545 ' HB1' ' HE2' ' A' ' 668' ' ' MET . . . -119.55 -84.18 0.66 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.073 0.463 . . . . 0.0 110.671 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.455 ' HE3' HG23 ' A' ' 71' ' ' ILE . 14.2 mtt -85.41 -47.48 9.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.894 -179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -178.59 -15.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.37 171.01 7.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.687 -177.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -91.36 131.52 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 5.1 m95 -130.67 174.82 9.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.335 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.553 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -137.4 170.67 15.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -38.09 17.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -171.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -35.46 63.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -174.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 58.7 m -97.22 -32.45 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.535 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -75.13 73.34 2.27 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 109.876 178.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.91 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 1.5 mtmt -143.86 178.6 7.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.928 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 19.5 t -68.83 139.72 55.22 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.122 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -11.47 59.67 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.107 0.48 . . . . 0.0 110.11 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -52.54 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.716 -176.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.51 -12.96 13.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.043 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.504 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.35 31.03 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.449 175.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 49' ' ' LYS . . . -67.01 148.17 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.718 ' HB3' ' HB2' ' A' ' 59' ' ' ASP . 6.0 mm100 -63.7 88.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.121 0.263 . . . . 0.0 111.357 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.91 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 2.0 mp -72.56 -22.33 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.21 0.43 78.4 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.718 ' HB2' ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -101.98 12.74 36.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.307 0.575 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.21 139.63 32.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.994 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.86 28.72 4.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.337 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.23 130.17 46.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.618 0.247 . . . . 0.0 110.632 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 137.03 56.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.488 . . . . 0.0 111.516 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.435 ' HB2' ' HE1' ' A' ' 668' ' ' MET . 0.3 OUTLIER -96.41 -176.54 3.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.808 177.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.607 ' HE2' ' HB3' ' A' ' 74' ' ' ARG . 54.6 m-85 -129.85 162.44 28.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 110.655 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -148.77 174.51 12.12 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.363 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HB2' ' HE1' ' A' ' 77' ' ' TYR . 15.8 tttp -158.2 -67.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.479 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.45 38.67 0.98 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.351 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.33 29.03 73.89 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.934 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.0 136.07 53.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.469 0.176 . . . . 0.0 110.838 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.711 HG22 ' HE3' ' A' ' 668' ' ' MET . 0.1 OUTLIER -78.96 108.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.451 176.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 80' ' ' LEU . 1.1 mp -130.77 150.63 51.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.115 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 22.9 p -73.28 164.62 26.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.08 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.607 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.52 -38.04 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.515 -178.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -72.03 -44.15 63.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.142 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.671 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.5 OUTLIER -73.48 -37.23 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.62 -174.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' HE2' HD23 ' A' ' 663' ' ' LEU . 22.7 t80 -57.84 -47.19 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.645 0.26 . . . . 0.0 110.97 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.87 -29.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.132 0.492 . . . . 0.0 110.847 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -74.94 -32.31 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.854 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -89.87 -50.27 6.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 -176.836 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -114.18 -95.33 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.064 0.459 . . . . 0.0 110.947 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.038 -175.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.179 0.514 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.9 153.25 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.559 -176.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -116.83 107.98 15.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.825 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -78.66 106.4 10.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -123.23 117.47 25.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.719 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.01 -142.42 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.785 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -79.83 73.15 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.185 0.517 . . . . 0.0 110.642 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.459 HG23 ' H ' ' A' ' 648' ' ' VAL . 0.0 OUTLIER -75.27 102.69 2.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.057 -178.297 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.81 111.0 5.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -120.19 -9.77 9.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.228 -174.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -62.12 -25.62 67.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.645 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -84.76 -17.6 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.984 0.421 . . . . 0.0 111.027 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.26 56.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.513 . . . . 0.0 110.58 -177.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -84.79 85.21 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.605 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.406 ' HB2' HG12 ' A' ' 657' ' ' ILE . 0.0 OUTLIER -68.21 122.55 18.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.98 -177.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.48 57.24 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.416 ' HB ' ' H ' ' A' ' 658' ' ' ASP . 2.2 pt -93.26 -157.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . 7.4 t0 -95.68 112.35 58.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 8.9 Cg_exo -72.99 -6.4 18.93 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.188 2.592 . . . . 0.0 112.624 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -111.48 -1.03 27.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.105 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 658' ' ' ASP . . . -77.4 -39.27 47.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.21 117.89 30.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.429 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 0.4 OUTLIER -116.27 16.11 15.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.472 174.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.7 -21.7 60.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.951 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.62 -18.77 43.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.164 0.507 . . . . 0.0 110.18 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.429 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 50.0 m-85 -90.35 -5.18 56.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.193 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.84 154.77 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.016 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 147.22 42.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.276 175.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -76.51 111.39 11.94 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.254 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t -87.06 96.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.081 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.2 m -87.64 103.36 15.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.974 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.47 116.1 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.58 128.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 10.0 t70 -71.22 100.46 2.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.911 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.41 70.08 4.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.739 -178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -79.87 -12.18 59.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.906 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -75.59 101.2 4.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.998 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 130.29 -30.44 3.48 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.007 -175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -21.06 41.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.196 0.522 . . . . 0.0 110.182 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.492 ' HG2' ' H ' ' A' ' 680' ' ' GLN . 0.0 OUTLIER -72.25 104.22 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.025 176.036 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.24 64.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.798 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -81.74 -21.65 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 0.0 110.451 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.45 -46.25 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -100.63 13.13 59.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.625 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -127.15 26.77 4.95 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.47 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -80.78 -65.2 1.73 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.882 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.75 5.16 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.149 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -58.1 3.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.032 0.444 . . . . 0.0 110.775 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 119.29 179.84 16.69 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.806 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -95.24 63.42 1.43 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.625 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -127.72 149.84 50.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.68 0.276 . . . . 0.0 110.681 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.29 63.32 0.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.018 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -124.38 112.6 1.82 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.553 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.89 120.78 25.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . 155.22 -175.37 33.21 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.779 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 83.29 -37.21 2.73 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.204 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 18' ' ' LEU . 1.4 mt -85.71 145.73 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 0.0 110.443 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.41 -21.87 16.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.484 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.8 m0 54.29 -112.15 0.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.601 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -142.78 134.66 26.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 129.54 34.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.028 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.538 ' HB3' HG13 ' A' ' 30' ' ' ILE . 29.3 p -101.95 154.82 18.6 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.273 0.558 . . . . 0.0 111.716 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.87 -45.98 19.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.824 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -63.87 4.2 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.368 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.07 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.488 . . . . 0.0 110.27 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 23.84 27.38 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.69 -138.78 4.74 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -116.08 139.85 49.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 21' ' ' LYS . 25.9 mt -66.63 107.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.184 0.516 . . . . 0.0 110.507 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.41 16.04 25.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.16 -171.89 2.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.78 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -88.85 -70.72 0.63 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.234 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -100.23 126.39 46.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.945 0.402 . . . . 0.0 111.397 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.38 149.43 24.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.444 176.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 149.44 49.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -91.62 138.78 31.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.526 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.94 121.89 6.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.125 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.68 -64.23 0.4 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.067 0.854 . . . . 0.0 111.293 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -165.34 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.547 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.7 170.56 8.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.007 0.432 . . . . 0.0 111.724 -171.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.13 127.15 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.484 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.662 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -128.38 171.57 11.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.256 0.551 . . . . 0.0 110.901 177.385 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.73 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.0 p80 -131.31 -172.42 2.84 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -45.59 69.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -7.08 55.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.73 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.42 -57.83 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 43' ' ' TRP . 16.5 tp -75.2 93.21 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.707 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.743 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -144.78 166.64 24.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.07 177.289 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 t -66.92 127.97 34.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.817 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 0.92 26.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.505 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -102.34 -51.66 3.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.79 -177.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 55' ' ' ALA . 26.2 p -110.59 -6.32 14.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.385 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.99 15.78 4.5 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.556 0.535 . . . . 0.0 111.83 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -64.6 122.53 17.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.743 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 11.4 mm-40 -61.63 120.67 11.05 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.45 0.469 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HA ' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.83 14.04 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.248 0.547 . . . . 0.0 110.915 -174.451 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.45 -49.52 4.13 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.817 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.66 70.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.776 0.322 . . . . 0.0 111.145 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.91 -102.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.428 . . . . 0.0 111.682 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 157.8 -51.55 0.41 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.83 132.2 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 154.13 41.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.268 0.556 . . . . 0.0 112.25 -175.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.496 ' HB3' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -78.81 160.71 27.25 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.546 176.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -127.13 159.53 33.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.239 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -144.73 158.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 111.012 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -164.51 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.795 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.72 18.76 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.252 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.25 23.87 77.04 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.22 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.7 mtm -130.91 147.59 52.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.82 113.21 21.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 5.0 mp -122.64 144.62 49.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.144 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 16.9 p -73.96 164.6 26.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.039 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' H ' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -50.59 -45.13 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.647 178.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.05 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.13 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.524 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -80.32 -47.54 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.815 -175.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -59.48 -50.57 73.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.556 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.6 -33.92 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.076 0.465 . . . . 0.0 111.026 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 79' ' ' ARG . 14.4 ttm105 -73.84 -45.99 47.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.3 -51.58 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.89 -100.52 0.43 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -175.563 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.387 0.137 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.07 -35.37 9.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' A' ' 647' ' ' ASP . 0.3 OUTLIER -78.94 80.49 5.28 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.171 0.986 . . . . 0.0 111.695 -174.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.864 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -80.87 1.27 31.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.968 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.39 38.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.133 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . 0.571 ' HA ' HE21 ' A' ' 643' ' ' GLN . 1.8 t70 -59.45 120.35 9.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -177.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.458 ' H ' HG22 ' A' ' 648' ' ' VAL . 2.7 m -103.27 160.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.17 92.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.685 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.65 -24.25 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.359 0.6 . . . . 0.0 109.54 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.84 -17.6 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.904 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.1 -25.52 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.943 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.9 47.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.263 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -100.58 53.39 0.87 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.243 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -89.13 176.08 7.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 82.84 4.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.008 0.433 . . . . 0.0 111.144 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 2.0 pt -73.16 177.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.548 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.69 115.35 8.55 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 123.512 0.508 . . . . 0.0 110.397 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.96 -45.59 35.51 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.287 2.658 . . . . 0.0 113.362 -173.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -177.87 46.6 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.851 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.3 -22.12 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.796 0.331 . . . . 0.0 111.211 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.34 115.57 30.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.2 tp -107.76 1.75 23.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -69.78 -27.76 65.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.545 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.8 -25.2 63.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.48 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -100.1 -0.89 38.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.419 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.632 ' HD3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -74.49 132.57 42.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.139 -175.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.59 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 2.0 mtm -102.1 85.38 2.66 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.257 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.57 118.69 16.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.089 0.471 . . . . 0.0 110.735 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.1 t -84.62 124.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.688 -173.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 138.91 35.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.79 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.62 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.2 mp -107.76 123.27 63.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.49 123.23 28.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.531 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.57 119.45 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.189 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 -37.55 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.604 -175.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.46 -173.8 3.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.241 0.543 . . . . 0.0 110.205 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 78.96 -75.33 2.05 Favored Glycine 0 C--N 1.311 -0.836 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.793 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -47.43 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.1 49.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.164 0.507 . . . . 0.0 111.051 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -15.49 48.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.255 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -77.54 -18.82 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.35 93.34 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 118.78 -132.27 9.59 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.268 178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 159.95 -83.23 0.13 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.233 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 79.98 43.99 9.42 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.06 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 62.72 -98.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.649 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -15.27 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.209 0.528 . . . . 0.0 110.626 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 143.16 102.28 0.42 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.227 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.25 74.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -120.86 127.87 52.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.19 113.12 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.54 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -68.05 137.43 31.7 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.538 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' SER . . . . . 0.582 ' HB3' ' HD1' ' A' ' 20' ' ' TRP . 1.4 m -75.68 60.09 1.24 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.053 0.454 . . . . 0.0 111.99 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -81.7 108.38 2.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.946 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 60.77 30.33 72.41 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.716 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 909' ' ' SER . 0.1 OUTLIER -96.48 -158.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.761 0.315 . . . . 0.0 111.31 -175.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.64 -22.06 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.582 ' HD1' ' HB3' ' A' ' 909' ' ' SER . 2.1 m0 56.05 -111.06 0.59 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.742 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -122.74 123.19 40.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.985 177.079 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.55 128.24 34.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.333 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 p -93.91 154.75 17.53 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.685 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 -44.25 10.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -170.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -69.82 1.28 Allowed Glycine 0 C--N 1.328 0.129 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.831 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -46.27 90.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 0.0 110.363 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.36 36.14 5.24 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.72 -117.55 2.25 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.97 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -140.44 137.61 34.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.779 0.323 . . . . 0.0 110.308 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.937 HG22 ' HB3' ' A' ' 44' ' ' HIS . 5.7 mt -72.17 108.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.383 0.611 . . . . 0.0 110.691 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.44 21.34 17.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.096 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.522 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -87.8 5.54 39.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.066 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.6 -63.7 0.42 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.707 0.629 . . . . 0.0 110.462 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.17 127.97 47.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -97.29 159.46 14.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 36' ' ' LEU . 1.8 mm? -108.92 134.98 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.822 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -100.59 103.39 14.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 177.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.489 ' HB3' ' SD ' ' A' ' 668' ' ' MET . . . -107.4 -110.37 0.3 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.429 ' H ' ' HG2' ' A' ' 39' ' ' MET . 0.7 OUTLIER -78.69 65.33 3.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.253 . . . . 0.0 111.537 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 74.59 -16.98 0.5 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.57 171.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.35 170.61 8.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -91.42 130.66 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.577 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 11.1 m95 -132.21 168.87 17.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.251 0.548 . . . . 0.0 111.208 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.937 ' HB3' HG22 ' A' ' 30' ' ' ILE . 1.4 p80 -135.56 -169.73 2.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 174.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.651 ' HB3' ' HG3' ' A' ' 56' ' ' GLN . 53.7 m -70.15 -17.6 63.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.167 0.439 . . . . 0.0 111.676 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 1.8 mtm-85 -100.25 -7.63 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.688 0.28 . . . . 0.0 111.034 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.693 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -100.78 -55.6 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.845 0.355 . . . . 0.0 110.049 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -76.23 77.76 3.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.982 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.804 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -144.56 161.08 40.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.139 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.7 t -65.89 132.42 48.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.709 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 m -70.16 -9.45 55.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.185 0.517 . . . . 0.0 110.498 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 -47.16 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.05 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 94.5 m -80.42 -35.62 34.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.517 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.471 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.9 mm100 63.04 26.5 15.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 -174.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.65 154.88 17.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.922 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.651 ' HG3' ' HB3' ' A' ' 45' ' ' SER . 3.9 mp0 -65.05 97.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 111.212 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.804 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -77.75 -20.3 53.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.419 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.64 -17.18 71.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.155 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.07 38.27 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 111.52 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.09 143.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.318 . . . . 0.0 110.77 176.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.64 94.93 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.787 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 118.28 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.632 ' HB2' ' HD3' ' A' ' 667' ' ' LYS . 1.2 m -73.05 161.54 30.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.042 0.449 . . . . 0.0 111.394 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.433 ' HB3' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -78.33 169.08 18.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 179.238 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.512 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 98.0 m-85 -129.71 156.86 43.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.175 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.59 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 2.9 t -143.13 168.98 18.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 178.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -166.66 -60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.34 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.41 20.64 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.441 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 24.04 66.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.78 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 25.3 mtm -115.99 151.54 35.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.37 109.04 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.948 0.404 . . . . 0.0 110.311 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -131.5 156.0 46.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.931 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -72.01 170.97 12.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -62.42 -25.43 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.761 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -82.28 -47.8 11.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.485 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.502 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -65.61 -42.5 91.5 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.467 -175.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.7 -47.79 84.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.805 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.585 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 64.3 mt -69.29 -37.73 76.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.479 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 79' ' ' ARG . 3.5 ttp-105 -64.14 -41.93 97.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.567 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -63.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.82 -64.09 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.585 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -1.151 . . . . 0.0 111.842 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 95.23 0.01 OUTLIER 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.569 0.543 . . . . 0.0 111.457 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.16 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -119.2 3.32 11.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.611 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.56 124.16 15.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.944 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 55.14 41.31 31.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.177 0.513 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.35 99.82 3.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 7.9 m -122.93 179.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.912 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 135.18 43.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.4 140.53 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -176.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -69.61 -14.62 62.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -79.63 -16.24 56.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.63 89.41 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.515 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -108.21 49.46 0.81 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.368 0.604 . . . . 0.0 110.371 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 6.6 p-90 -89.7 -155.78 0.38 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.795 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.64 76.2 4.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.954 0.407 . . . . 0.0 110.519 176.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.429 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.2 OUTLIER -88.25 -8.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 110.18 -178.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.03 125.46 85.26 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.756 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.57 -1.98 11.11 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 146.17 85.65 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.796 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.89 62.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.019 0.437 . . . . 0.0 110.582 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -76.75 116.07 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.98 177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.628 HD12 HD12 ' A' ' 78' ' ' ILE . 0.6 OUTLIER -93.07 50.04 1.49 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.356 . . . . 0.0 111.336 -175.487 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -53.32 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.109 0.48 . . . . 0.0 110.738 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' A' ' 665' ' ' GLN . 4.5 mm-40 -71.81 -15.37 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.81 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.482 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 3.3 m-30 -86.97 -14.25 42.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -73.22 123.74 24.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.508 ' HE3' ' HE2' ' A' ' 39' ' ' MET . 12.5 ptp -87.04 106.0 17.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.25 111.93 3.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.238 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.14 94.82 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.314 0.578 . . . . 0.0 110.761 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -92.02 113.58 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.327 178.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . 0.479 HG11 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -87.68 137.71 20.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.929 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mp -110.26 132.64 58.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 7.5 t70 -70.14 93.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' THR . . . . . 0.661 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 2.1 m 75.12 158.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.116 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 1.1 ptmm? -67.54 -15.99 63.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.893 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . 0.435 ' CG ' ' HZ1' ' A' ' 676' ' ' LYS . 56.1 m-20 -92.32 -152.8 0.32 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.077 0.465 . . . . 0.0 111.51 -173.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 100.92 -49.06 1.1 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.236 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.23 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.239 0.542 . . . . 0.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 682' ' ' LYS . 0.0 OUTLIER -96.26 90.97 5.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.14 37.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.882 -176.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 680' ' ' GLN . 11.3 ttmt -103.53 2.12 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.571 . . . . 0.0 109.8 177.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.4 64.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.384 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -115.11 -37.6 1.11 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.569 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 112.09 -121.07 5.55 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.075 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 82.07 30.55 34.36 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.642 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 80.5 -71.9 2.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.752 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 3.8 m -121.18 126.47 49.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -87.64 31.98 4.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.969 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 83.67 -78.53 2.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.95 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -105.02 147.96 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -77.19 117.51 18.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 123.71 146.82 7.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.16 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.1 m -78.02 106.65 10.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.563 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -70.85 149.2 45.96 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 75.47 67.67 1.68 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.59 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.61 10.7 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.594 -173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -24.7 19.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.404 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 48.61 -113.72 0.59 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -118.93 154.96 32.15 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -125.49 119.03 27.11 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 -172.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.55 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 4.8 p -88.87 154.88 19.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.29 7.13 45.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -104.47 -81.86 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.659 -175.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 15.7 p -82.17 -105.11 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.517 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -79.79 -16.23 77.7 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.135 -171.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.55 ' HA2' ' O ' ' A' ' 23' ' ' CYS . . . 77.76 12.34 84.55 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.827 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -142.16 102.48 4.12 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 21' ' ' LYS . 63.0 mt -76.35 107.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.454 0.645 . . . . 0.0 110.998 -175.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.08 18.79 21.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.854 171.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -83.08 -177.9 6.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.257 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.661 ' O ' ' HA ' ' A' ' 675' ' ' THR . 0.0 OUTLIER -82.25 -72.21 0.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -101.78 153.2 20.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.828 -174.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.929 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 10.9 mt -100.17 157.59 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.085 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD21 HG13 ' A' ' 672' ' ' VAL . 12.1 mt -137.3 135.14 36.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.704 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.405 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.6 OUTLIER -97.51 142.32 29.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.581 174.651 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -127.24 -77.73 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.083 0.468 . . . . 0.0 110.276 176.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.508 ' HE2' ' HE3' ' A' ' 668' ' ' MET . 1.2 mpt? -100.38 -47.96 4.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.31 -22.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.269 -175.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.9 164.47 13.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 111.37 -172.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 13.8 m-85 -83.48 127.3 33.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.545 173.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 12.7 m95 -128.01 -178.88 4.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.242 0.544 . . . . 0.0 110.399 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.7 p80 -145.75 178.21 8.33 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -31.37 67.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.82 -18.63 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -100.22 -40.66 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.238 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -80.07 65.54 5.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.635 0.731 . . . . 0.0 110.563 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 164.1 20.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.064 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 43.5 t -62.1 139.87 58.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.784 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.51 -8.0 59.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.559 176.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -113.99 -51.84 2.76 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.782 -176.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.32 -22.61 19.62 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 67.43 30.85 6.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.277 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.44 141.35 28.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -73.64 82.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.935 0.398 . . . . 0.0 110.445 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.08 -19.55 66.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.408 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.16 -20.38 60.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -17.32 19.03 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.838 0.828 . . . . 0.0 110.293 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -101.86 143.63 14.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 114.448 -1.251 . . . . 0.0 108.819 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 56.96 1.63 Allowed Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.494 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 137.58 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.791 0.329 . . . . 0.0 111.562 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.43 79.27 5.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 158.14 36.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.228 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.92 164.38 15.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 t -152.78 168.55 25.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.183 0.516 . . . . 0.0 111.282 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.571 ' HD3' ' HB3' ' A' ' 81' ' ' PHE . 1.9 tttp -140.16 -67.04 0.44 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.425 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.92 25.07 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.107 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.38 15.31 76.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mtt -89.95 133.68 34.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -85.76 113.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 77' ' ' TYR . 1.6 mp -142.39 158.58 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.266 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.0 m -85.36 -170.26 3.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.084 0.469 . . . . 0.0 110.848 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -65.93 -56.21 12.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.11 -172.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -43.49 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 111.509 -172.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.94 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.229 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.536 ' HA ' HD22 ' A' ' 72' ' ' LEU . 24.6 t80 -66.91 -43.02 84.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.535 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.628 HD12 HD12 ' A' ' 663' ' ' LEU . 27.1 mm -61.9 -40.19 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.33 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -46.97 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.844 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 HD22 ' CE2' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -73.66 -57.49 3.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.946 -175.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' HB3' ' HD3' ' A' ' 67' ' ' LYS . 96.9 m-85 -107.87 -62.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 0.0 111.703 -175.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.421 -174.15 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 120.589 0.233 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -18.96 8.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 110.767 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -116.91 122.14 43.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -161.96 -31.75 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.058 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.15 77.19 0.29 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.907 0.754 . . . . 0.0 111.634 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.03 77.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.146 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.67 109.87 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.015 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.7 m -97.99 8.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.949 -173.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.2 115.63 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . 0.505 ' HA ' HD12 ' A' ' 653' ' ' ILE . 50.0 m-85 -69.32 -10.26 57.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.032 -176.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . 0.878 ' HA ' ' HG3' ' A' ' 654' ' ' GLN . 22.1 mm-40 -63.76 -28.88 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.329 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -69.55 -24.99 63.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.345 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 650' ' ' PHE . 0.0 OUTLIER -125.62 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.004 178.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . 0.878 ' HG3' ' HA ' ' A' ' 651' ' ' GLU . 1.0 OUTLIER -91.54 -5.54 53.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.421 ' CZ3' HG21 ' A' ' 657' ' ' ILE . 1.4 p-90 -100.77 172.32 7.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.145 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.13 116.97 33.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.421 HG21 ' CZ3' ' A' ' 655' ' ' TRP . 0.2 OUTLIER -115.13 179.56 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.247 176.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.24 144.31 98.08 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.243 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.51 -31.37 48.46 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.769 2.313 . . . . 0.0 111.992 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -118.54 55.44 0.59 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.44 -23.24 66.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 111.346 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -100.95 16.8 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.155 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.409 HD23 ' HE2' ' A' ' 77' ' ' TYR . 90.4 mt 58.94 33.73 23.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.662 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -60.76 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.193 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -80.99 -11.55 59.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.836 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.95 -35.29 59.76 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.127 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -69.65 133.73 47.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.894 177.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.479 ' HE2' ' HB2' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -92.57 121.82 34.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.242 176.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.99 105.41 5.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.547 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.587 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 26.4 t -82.57 107.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.379 0.609 . . . . 0.0 110.147 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.64 106.82 18.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.987 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 14.9 t -87.21 115.89 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.501 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.456 HG23 ' HG3' ' A' ' 676' ' ' LYS . 1.3 mp -84.75 112.58 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.128 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.91 76.25 7.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.754 177.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 42.09 42.35 2.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.702 -176.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.456 ' HG3' HG23 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -102.75 -13.44 17.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.523 -175.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . 0.562 ' HA ' ' OE1' ' A' ' 680' ' ' GLN . 0.6 OUTLIER -77.64 81.71 4.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.419 0.628 . . . . 0.0 111.031 -175.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 163.06 -27.42 0.23 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.009 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -1.22 57.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 111.027 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.562 ' OE1' ' HA ' ' A' ' 677' ' ' ASP . 1.1 pt20 -65.53 111.24 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.61 -175.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -3.98 52.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.423 175.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -84.47 5.27 28.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.22 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 156.43 32.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.016 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -82.1 79.85 1.82 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.938 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -175.55 174.48 46.87 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 154.06 -132.86 3.69 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.047 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -154.0 54.07 0.44 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.79 118.82 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 119.72 -113.4 2.47 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.986 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -115.81 86.88 0.42 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.65 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -88.26 132.71 34.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.001 0.429 . . . . 0.0 110.7 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 3.7 ttm -100.01 -20.93 15.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 97.82 -65.35 0.85 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 66.18 4.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 110.097 176.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -110.55 104.54 1.8 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.444 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 118.58 148.38 8.45 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.719 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.515 ' HA ' HD11 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -121.75 1.84 9.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -178.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -34.37 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.475 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.5 m0 56.98 -104.74 0.24 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.676 0.61 . . . . 0.0 111.044 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.6 OUTLIER -133.16 142.52 48.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.91 179.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.91 134.38 37.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.29 153.98 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.485 0.66 . . . . 0.0 111.646 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.85 -3.49 26.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.09 -55.41 1.2 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.528 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -101.27 -28.16 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.216 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.59 -12.52 59.67 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.382 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.44 -157.05 20.72 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.782 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -100.0 136.35 40.04 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mt -71.69 108.9 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.115 0.483 . . . . 0.0 110.091 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.08 15.13 10.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.6 -91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.038 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -176.93 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.7 131.57 45.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.86 141.91 28.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.691 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD12 ' HA3' ' A' ' 58' ' ' GLY . 28.7 mt -123.24 151.02 42.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.983 0.42 . . . . 0.0 111.105 -176.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -119.05 105.81 11.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.194 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' HB3' HD23 ' A' ' 48' ' ' LEU . . . -78.66 -44.37 23.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.0 110.887 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtm -148.18 -64.47 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.28 -177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -146.11 -7.97 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.178 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.66 170.04 9.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.669 0.271 . . . . 0.0 111.024 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -98.99 132.43 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -135.83 176.8 8.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.786 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -139.12 179.62 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -40.22 64.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -171.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -12.71 44.29 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.49 -36.12 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.495 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.78 73.69 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.385 0.612 . . . . 0.0 110.937 -178.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -132.2 165.57 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.999 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 50.8 t -59.4 136.92 58.12 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 173.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 m -77.35 0.04 23.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 0.0 110.388 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 -36.85 3.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.959 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 99.5 m -95.88 -31.19 13.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 111.621 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.71 24.19 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.114 -171.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.96 134.76 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.332 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 111.324 -175.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.05 -21.18 64.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.661 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.671 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . -87.28 -3.75 81.68 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.537 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 2.9 43.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.106 0.955 . . . . 0.0 109.814 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.477 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 4.5 mt -132.23 145.9 33.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.521 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.66 57.99 2.1 Favored Glycine 0 C--N 1.319 -0.416 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.525 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.477 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -98.05 115.64 28.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.002 0.43 . . . . 0.0 111.436 -174.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -75.02 81.42 2.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.692 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 667' ' ' LYS . 0.5 OUTLIER -70.32 144.15 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.011 -178.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -112.39 146.04 39.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 t -134.11 166.35 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.049 0.452 . . . . 0.0 110.813 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -63.67 0.47 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.254 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.86 42.45 1.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.305 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 28.22 73.5 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.667 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.74 131.84 55.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.62 107.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.025 0.441 . . . . 0.0 110.585 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.624 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 1.2 mt -129.9 157.24 42.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.8 p -74.38 177.11 6.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.544 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -59.75 -42.12 92.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.586 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -35.75 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.877 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -70.03 -37.13 75.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.615 -175.153 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' HE2' HD23 ' A' ' 663' ' ' LEU . 25.1 t80 -57.03 -45.84 82.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.567 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.32 -40.64 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 0.0 110.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -32.13 71.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -62.6 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.063 0.458 . . . . 0.0 110.906 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -112.9 -82.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.492 -1.171 . . . . 0.0 111.385 -176.349 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 109.34 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -78.71 -34.88 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -74.88 147.88 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 646' ' ' GLN . 7.8 t-20 -87.24 119.93 28.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.735 -174.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 645' ' ' ASN . 1.5 mt-30 72.98 -72.74 0.11 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.639 176.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.35 160.71 28.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.414 ' O ' ' HD1' ' A' ' 650' ' ' PHE . 0.1 OUTLIER -73.46 176.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 -179.31 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 70.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.199 0.524 . . . . 0.0 111.259 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . 0.414 ' HD1' ' O ' ' A' ' 648' ' ' VAL . 28.7 p90 -84.28 -6.53 59.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.622 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -37.49 16.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -67.2 -34.95 78.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.2 100.17 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 111.037 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . 0.494 ' H ' ' HG3' ' A' ' 654' ' ' GLN . 0.0 OUTLIER -81.69 70.77 8.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.805 177.149 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.559 ' HB3' HG12 ' A' ' 657' ' ' ILE . 1.8 m95 -82.18 103.37 11.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.08 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.06 57.51 2.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.559 HG12 ' HB3' ' A' ' 655' ' ' TRP . 1.2 pt -102.99 -167.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.516 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.495 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 1.6 m-20 -66.87 110.26 4.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 1.2 Cg_endo -83.39 54.68 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.336 2.69 . . . . 0.0 112.65 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 83.07 26.52 44.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.23 -9.34 52.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.226 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.63 -26.05 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.438 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.497 ' HA ' HD11 ' A' ' 663' ' ' LEU . 0.2 OUTLIER 65.58 15.46 10.05 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.182 174.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -35.04 79.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 0.0 111.495 -177.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -11.12 59.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.079 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -101.1 3.13 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.88 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.49 129.14 36.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 111.218 -176.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.543 ' HE1' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -102.31 141.35 35.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.594 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -99.45 113.66 26.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.56 95.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.079 0.466 . . . . 0.0 111.052 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.604 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -91.68 130.31 37.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.324 177.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.59 121.38 65.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.9 mp -115.44 140.38 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.763 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.36 155.22 34.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.94 123.34 22.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.697 0.284 . . . . 0.0 111.271 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -53.91 41.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.7 101.25 13.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 0.0 109.932 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 150.71 -71.14 0.3 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.363 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.49 -32.65 42.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.855 0.36 . . . . 0.0 110.475 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.26 53.26 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.504 . . . . 0.0 110.267 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -10.17 59.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -51.53 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.047 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -2.12 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -136.63 73.4 0.44 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.528 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 143.03 -52.0 0.65 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.061 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 97.91 -65.13 0.84 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.815 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 178.27 -139.32 4.08 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.095 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 15.8 m -102.8 178.06 4.67 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 137.86 16.43 0.68 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.202 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 140.95 154.9 6.32 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -83.91 79.09 9.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.067 0.461 . . . . 0.0 110.064 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -90.7 -13.42 34.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 86.17 172.64 48.81 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.29 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.95 178.91 6.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.665 0.269 . . . . 0.0 110.722 178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.51 26.81 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -124.81 90.1 0.4 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -0.29 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 m -90.36 -17.26 27.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.402 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.3 m-90 49.92 -110.04 0.41 Allowed 'General case' 0 N--CA 1.461 0.093 0 O-C-N 123.787 0.679 . . . . 0.0 110.427 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 1.4 mmtt -134.44 152.3 51.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.02 145.41 26.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 110.359 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 23.3 m -59.1 155.28 14.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.777 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.72 -17.02 9.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.024 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.1 -60.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.777 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.04 -66.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.004 0.402 . . . . 0.0 110.642 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.95 34.58 0.72 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.577 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -140.32 -131.23 2.73 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.045 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -112.92 134.29 54.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.767 0.318 . . . . 0.0 110.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.558 HG12 ' CD2' ' A' ' 44' ' ' HIS . 45.8 mt -74.49 109.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.199 0.523 . . . . 0.0 110.272 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.35 21.08 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.85 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 7.0 m-20 -85.4 -178.36 6.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.442 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -46.45 6.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.831 0.348 . . . . 0.0 110.358 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -101.59 135.82 42.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.247 0.546 . . . . 0.0 111.726 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.8 140.8 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.484 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.37 134.72 54.84 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.008 0.432 . . . . 0.0 111.572 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.604 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 1.3 m-85 -99.92 117.15 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.549 ' CB ' HD22 ' A' ' 48' ' ' LEU . . . -103.92 -32.21 9.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.787 0.327 . . . . 0.0 111.423 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.0 ptp -163.29 -34.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.279 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -29.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.18 165.62 15.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -175.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -94.85 117.4 30.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.2 m95 -120.52 176.55 5.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 0.0 110.431 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.737 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -133.79 -173.97 3.39 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 167.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.174 0.443 . . . . 0.0 111.282 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -30.52 29.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.114 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.737 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -79.17 -53.78 6.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.894 0.378 . . . . 0.0 110.306 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -76.06 85.88 2.95 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.808 -176.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 164.96 27.93 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.61 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.87 135.28 52.25 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.098 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -78.03 -8.96 58.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.646 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.59 -52.5 3.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.95 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.35 -10.08 17.21 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.415 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 27.37 16.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.186 176.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.64 34.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -73.66 67.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 109.878 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.73 -23.05 66.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.191 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 48' ' ' LEU . . . -78.56 -21.21 69.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.668 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 13.11 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.333 0.587 . . . . 0.0 110.635 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.98 141.37 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.787 177.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.26 64.3 2.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.114 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.74 153.5 17.84 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.473 0.309 . . . . 0.0 110.931 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -82.82 66.84 8.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.043 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 151.01 44.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.651 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 663' ' ' LEU . 53.5 m-85 -123.34 149.47 44.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.15 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.28 138.24 52.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.263 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.56 133.33 10.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.637 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m 57.17 36.58 27.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.395 0.617 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.4 19.04 74.05 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.792 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.4 mtm -111.38 150.93 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.822 0.311 . . . . 0.0 110.448 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.404 ' C ' HD11 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -116.4 113.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 77' ' ' TYR . 7.2 mp -124.36 149.46 46.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.694 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 20.4 p -72.39 166.49 22.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.029 176.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -49.93 -54.34 20.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.488 -170.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.576 ' HA ' HD11 ' A' ' 78' ' ' ILE . 35.0 t30 -78.25 -25.77 46.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.583 -175.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.694 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 2.3 m-20 -77.66 -26.19 50.18 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.521 -175.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.658 ' HA ' HD23 ' A' ' 72' ' ' LEU . 15.3 t80 -59.59 -46.35 89.2 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.52 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -68.17 -27.19 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 178.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.606 ' HB2' ' HA ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -64.88 -44.15 90.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.325 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mp -84.15 -58.38 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.065 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -106.39 -98.1 0.35 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.792 -175.816 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 121.114 0.483 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.53 128.7 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.005 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.83 145.58 25.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.065 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.49 59.63 2.18 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.868 0.73 . . . . 0.0 111.233 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -75.04 86.83 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.459 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' A' ' 646' ' ' GLN . 0.0 OUTLIER -86.0 117.13 24.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.285 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.49 159.14 15.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.839 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.43 122.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.234 0.54 . . . . 0.0 110.523 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 652' ' ' ASN . 0.3 OUTLIER -76.76 89.24 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.542 179.545 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -20.99 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.37 -177.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -76.25 -16.33 59.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . 0.424 ' HB2' ' HB2' ' A' ' 649' ' ' SER . 1.7 t30 -68.79 -28.93 67.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.183 0.516 . . . . 0.0 110.606 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.4 ' H ' HG13 ' A' ' 653' ' ' ILE . 1.1 pp -107.87 16.63 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.633 0.73 . . . . 0.0 110.229 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -124.47 33.13 5.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.312 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.495 ' CZ3' HG23 ' A' ' 657' ' ' ILE . 4.9 p-90 -74.74 140.53 44.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.747 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.67 122.95 19.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.495 HG23 ' CZ3' ' A' ' 655' ' ' TRP . 0.1 OUTLIER -122.3 -4.94 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 22.3 t70 -80.02 117.33 66.94 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 3.2 Cg_exo -76.58 -5.7 16.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.014 2.476 . . . . 0.0 112.102 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -78.7 -49.57 6.5 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -76.93 -8.42 57.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.19 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.24 85.73 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.061 0.457 . . . . 0.0 110.495 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 666' ' ' TYR . 0.0 OUTLIER -100.4 24.09 9.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.547 179.032 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -32.35 73.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.151 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -86.3 -10.36 54.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.156 0.503 . . . . 0.0 110.063 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 663' ' ' LEU . 15.3 m-85 -90.89 -5.66 55.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.564 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 147.65 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.444 ' SD ' ' HB3' ' A' ' 38' ' ' ALA . 24.0 ptp -100.4 150.34 22.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.15 107.56 19.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.433 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 10.3 t -84.9 94.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 2.9 m -96.63 125.16 40.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.567 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . 0.554 HG21 ' HD2' ' A' ' 34' ' ' PHE . 7.5 p -89.84 130.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.0 0.428 . . . . 0.0 110.099 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.447 ' HB ' ' HG ' ' A' ' 35' ' ' LEU . 2.5 mp -91.42 131.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.76 129.38 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.231 -176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 1.9 t -121.09 125.24 46.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 9.2 38.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.808 0.814 . . . . 0.0 110.254 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.52 129.07 46.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.127 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.17 -16.85 60.15 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.891 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -13.49 29.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.89 0.376 . . . . 0.0 111.213 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.511 HE21 ' HB2' ' A' ' 680' ' ' GLN . 0.0 OUTLIER -133.49 28.18 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.014 -176.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -26.89 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.639 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -82.75 -18.04 42.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . 0.409 HD13 ' HG3' ' A' ' 680' ' ' GLN . 1.2 mp -89.31 -44.55 10.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.135 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 111.11 122.16 4.24 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.33 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -83.2 61.29 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.959 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -101.26 135.0 11.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.446 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 91.69 -21.68 34.76 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.547 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 74.03 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -70.6 -26.86 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.516 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -94.3 17.75 58.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.171 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.51 131.09 54.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.859 0.362 . . . . 0.0 110.443 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.77 149.69 23.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.053 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -103.73 -163.97 25.14 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.807 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.11 95.5 1.65 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -77.86 72.64 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.464 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 120.77 -167.99 13.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.13 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -112.37 3.02 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.866 0.365 . . . . 0.0 110.521 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -34.92 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -178.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 29' ' ' LYS . 2.0 m0 58.88 -103.45 0.17 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.345 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -135.74 132.76 37.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.001 177.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 61.9 mtm-85 -96.93 129.75 44.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.04 157.35 21.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.211 0.529 . . . . 0.0 111.932 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.758 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -88.28 -92.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.98 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.25 -46.78 35.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 111.033 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.08 52.33 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 22' ' ' ARG . . . -107.83 -155.65 18.97 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.743 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB3' ' CE3' ' A' ' 20' ' ' TRP . 13.3 mtpt -92.22 124.61 36.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 21' ' ' LYS . 61.6 mt -69.15 107.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.372 0.605 . . . . 0.0 109.491 177.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.91 20.19 15.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.268 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.48 8.22 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.428 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 73.15 -65.54 0.35 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.903 0.881 . . . . 0.0 111.328 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.554 ' HD2' HG21 ' A' ' 672' ' ' VAL . 2.3 m-85 -100.26 124.61 45.92 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.83 0.347 . . . . 0.0 110.365 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HG ' ' HB ' ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.5 153.35 19.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.407 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.81 165.62 13.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -114.41 149.82 35.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.294 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' ' SD ' ' A' ' 668' ' ' MET . . . -140.3 -87.89 0.19 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.143 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.597 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -83.48 -79.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 110.045 178.065 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -148.16 9.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.404 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 170.58 8.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.503 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -97.66 136.14 38.45 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -130.31 -179.37 5.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.654 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.6 p80 -150.44 -171.46 3.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.453 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.76 -35.13 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -175.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -82.45 -19.95 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.758 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -100.75 -45.64 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.07 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -75.94 72.85 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.54 0.686 . . . . 0.0 111.354 -173.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG2' ' HA ' ' A' ' 56' ' ' GLN . 14.4 mttt -136.23 158.69 43.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.576 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 36.1 t -58.81 134.82 57.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.797 175.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -2.69 42.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.143 0.497 . . . . 0.0 110.435 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.571 ' HB2' ' OD2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -103.95 -50.7 3.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.6 -178.087 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p -115.15 -4.85 12.43 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.577 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.6 40.43 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.574 178.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 139.74 32.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.869 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.544 ' HA ' ' HG2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -69.23 118.82 12.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.955 0.407 . . . . 0.0 111.023 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.856 HD23 ' HB ' ' A' ' 62' ' ' THR . 5.0 mt -106.04 -7.51 18.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.46 -33.71 5.28 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.804 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -99.48 0.35 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.498 0.666 . . . . 0.0 111.097 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.6 141.39 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.734 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.76 65.53 1.13 Allowed Glycine 0 C--N 1.321 -0.254 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.571 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.856 ' HB ' HD23 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -98.56 131.52 44.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 178.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.467 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -66.0 111.39 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.657 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.497 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -113.36 133.98 54.87 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.99 172.06 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.386 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.597 ' HB ' ' HE2' ' A' ' 39' ' ' MET . 5.3 t -143.15 179.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 111.249 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 68' ' ' SER . 14.2 tttp -171.59 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.412 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.84 46.01 1.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.24 179.647 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.44 5.08 62.42 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.267 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.409 ' HB3' HD11 ' A' ' 72' ' ' LEU . 32.0 ttm -95.46 146.59 24.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 110.767 -178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.94 110.93 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -125.99 149.7 48.61 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.91 -176.13 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -82.03 179.55 7.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HG3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -57.83 -53.1 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.37 -177.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -36.92 75.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.633 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 4.1 m-20 -77.12 -36.91 55.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.739 -173.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -55.88 -51.87 66.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.063 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.635 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 1.6 mt -71.85 -26.03 25.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.925 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -71.57 -41.12 69.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.68 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -79.46 -60.02 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.22 -178.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.29 -55.32 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.864 0.364 . . . . 0.0 111.212 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.635 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -173.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.831 0.348 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 37.3 mt -136.29 89.51 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.147 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 65.53 40.64 4.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.051 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.423 ' HB3' ' H ' ' A' ' 645' ' ' ASN . 2.0 t-20 -110.31 -91.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.186 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . 0.423 ' H ' ' HB3' ' A' ' 644' ' ' ASN . 12.1 t-20 -134.72 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.67 0.272 . . . . 0.0 110.616 -177.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.1 55.11 3.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.297 0.57 . . . . 0.0 110.547 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.83 56.12 1.96 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.2 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -75.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.423 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.99 129.79 45.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.992 0.425 . . . . 0.0 111.02 -176.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -100.7 93.44 5.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . 0.503 ' H ' ' HG3' ' A' ' 651' ' ' GLU . 0.0 OUTLIER -64.09 -20.91 66.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.698 -177.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -28.71 69.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.926 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -107.75 44.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.615 0.722 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -96.17 75.41 3.0 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.07 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.09 147.41 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.109 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 2.8 m -114.81 48.71 1.11 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.391 0.615 . . . . 0.0 110.68 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.461 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.7 OUTLIER -121.35 -170.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.412 -179.488 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 659' ' ' PRO . 31.4 t0 -73.54 116.26 49.69 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.251 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 658' ' ' ASP . 23.0 Cg_endo -62.11 -22.72 74.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.565 2.176 . . . . 0.0 112.072 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -105.93 29.24 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.069 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.83 -52.4 44.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.779 0.323 . . . . 0.0 110.706 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . 0.569 ' C ' ' HG ' ' A' ' 663' ' ' LEU . 6.0 t0 -83.87 163.79 19.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.569 ' HG ' ' C ' ' A' ' 662' ' ' ASP . 0.0 OUTLIER 48.22 33.83 4.0 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.413 0.685 . . . . 0.0 111.594 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -39.65 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.616 -174.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -87.39 -9.51 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.507 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -87.03 -11.89 49.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.35 122.15 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.421 . . . . 0.0 110.646 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.776 ' HE1' ' HG3' ' A' ' 39' ' ' MET . 1.5 mtt -85.71 90.69 8.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 63' ' ' SER . 0.3 OUTLIER -62.24 123.31 17.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.408 -176.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.61 HG23 ' HA ' ' A' ' 63' ' ' SER . 98.3 t -82.78 115.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.991 -169.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -88.29 128.19 35.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.697 173.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.6 131.44 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.161 0.505 . . . . 0.0 110.428 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 35' ' ' LEU . 3.5 mp -89.78 122.55 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.73 111.43 6.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.765 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.16 94.99 9.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.809 173.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.17 79.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.108 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -72.86 75.66 1.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.298 0.571 . . . . 0.0 110.505 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 164.46 -55.73 0.27 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.7 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 -41.93 25.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.662 0.268 . . . . 0.0 110.709 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.52 105.47 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.81 25.71 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -174.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -23.91 32.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 110.853 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.15 155.44 48.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.753 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 176.41 -171.66 44.64 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.948 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -146.66 121.74 1.49 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -119.7 -131.45 4.2 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.182 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 73.54 -159.52 53.2 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.55 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.56 82.15 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.43 . . . . 0.0 110.578 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 99.41 76.63 1.26 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -82.68 -25.43 50.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.555 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -118.14 137.25 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.343 . . . . 0.0 110.617 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -38.57 25.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.351 0.596 . . . . 0.0 109.711 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 148.98 131.15 1.96 Allowed Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.519 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.17 115.18 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.896 0.348 . . . . 0.0 110.593 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -76.24 69.87 2.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.203 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 143.23 87.62 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.94 13.79 13.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.851 0.358 . . . . 0.0 111.041 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.74 -34.33 13.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.57 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.408 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 51.45 -119.91 1.53 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.875 -177.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' HG2' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -109.98 137.75 47.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.198 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.23 137.98 40.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 130.57 44.5 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 -50.01 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -168.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -59.03 -58.47 14.4 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.795 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.652 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -71.57 -48.32 49.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.007 0.432 . . . . 0.0 110.014 175.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.76 29.76 3.01 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.852 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.59 -126.56 3.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.699 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 141.16 36.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 44' ' ' HIS . 7.2 mt -73.35 108.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.255 0.55 . . . . 0.0 111.412 -174.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.3 19.43 14.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.523 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.2 -84.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.859 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -176.26 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -98.38 132.44 43.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.073 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.55 144.95 28.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.424 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.558 HD21 ' HA2' ' A' ' 58' ' ' GLY . 5.8 mp -109.83 150.5 28.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.417 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -111.51 115.38 29.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.587 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -113.35 -100.01 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.649 0.261 . . . . 0.0 110.639 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.776 ' HG3' ' HE1' ' A' ' 668' ' ' MET . 1.7 ttm -58.44 -63.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -171.82 -4.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.614 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.82 171.4 7.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.206 -177.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.31 132.49 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.108 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.629 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 5.2 m95 -125.91 153.99 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.44 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.887 ' HB3' HG22 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -109.4 -176.21 2.96 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 171.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.616 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 1.1 m -48.35 -46.31 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.652 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -93.13 -1.12 56.72 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.789 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -85.93 -52.14 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.847 -0.533 . . . . 0.0 110.257 178.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -73.44 89.21 1.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.201 178.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -134.31 144.54 48.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.692 177.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.84 133.46 56.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.793 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -76.78 -1.5 28.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -51.68 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -177.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 55' ' ' ALA . 20.8 p -112.23 3.47 17.17 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.275 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.37 25.41 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.626 177.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -61.59 120.32 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.128 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -76.52 87.11 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -75.25 -13.11 60.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.685 -178.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.558 ' HA2' HD21 ' A' ' 36' ' ' LEU . . . -62.12 -55.97 24.92 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.029 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 3.0 p-10 -84.76 14.02 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.281 -0.541 . . . . 0.0 111.446 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.63 -45.83 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 110.329 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.05 26.23 Favored Glycine 0 C--N 1.317 -0.518 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.212 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.53 123.88 26.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.61 ' HA ' HG23 ' A' ' 670' ' ' VAL . 22.9 m -68.96 109.23 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.022 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 160.95 28.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.888 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.628 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 42.9 m-85 -104.06 159.44 15.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.563 HG23 ' HE3' ' A' ' 668' ' ' MET . 1.4 t -152.98 173.63 15.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.063 0.459 . . . . 0.0 111.585 -177.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.83 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.086 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.6 43.18 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.082 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.38 -4.99 57.53 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.334 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.4 mtm -84.41 128.49 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.633 -0.334 . . . . 0.0 110.717 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.3 111.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.876 0.37 . . . . 0.0 110.035 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' HD1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.27 158.42 37.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 -177.077 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -73.11 175.78 6.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.532 . . . . 0.0 111.281 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.628 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -62.04 -31.71 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.539 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -83.15 -41.59 18.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.648 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.692 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -77.06 -38.24 52.99 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.635 -171.1 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.551 ' HD1' HD12 ' A' ' 72' ' ' LEU . 54.2 t80 -57.29 -42.94 82.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.303 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.96 -28.63 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 0.0 110.343 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -75.56 -36.77 60.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -81.07 -60.24 2.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.457 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -107.26 -101.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.683 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.695 -1.058 . . . . 0.0 111.69 -179.277 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.176 0.512 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 57.93 1.79 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -58.83 150.94 22.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.994 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.4 94.51 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.53 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -110.34 -12.57 14.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.268 0.556 . . . . 0.0 109.715 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -126.73 120.69 30.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -68.57 144.41 54.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.7 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.71 171.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.989 0.423 . . . . 0.0 111.318 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 40.0 t -151.49 149.36 29.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -67.6 -21.99 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.433 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.61 -23.73 65.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.593 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -87.53 -51.43 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.243 0.545 . . . . 0.0 109.978 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.533 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.2 OUTLIER -104.15 77.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.479 178.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -74.31 87.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.13 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -98.12 44.28 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.733 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.58 58.32 4.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.519 -176.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.72 165.0 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.508 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.48 148.07 72.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.11 46.59 2.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.032 2.488 . . . . 0.0 112.967 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 78.03 54.46 4.46 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.425 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.09 69.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 111.186 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.23 -24.95 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.952 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 54.7 mt -78.82 -4.51 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -176.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 42.1 m -70.36 -12.54 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 111.006 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.05 -23.16 55.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.048 0.451 . . . . 0.0 110.22 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' THR . 26.0 m-85 -102.35 10.64 38.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.223 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.457 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 12.0 mttt -86.39 151.26 23.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.157 -172.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.407 ' CE ' ' HG3' ' A' ' 39' ' ' MET . 0.0 OUTLIER -136.79 118.75 15.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.702 171.716 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.2 148.31 24.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.306 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.57 HG21 ' HA2' ' A' ' 61' ' ' GLY . 88.9 t -83.83 108.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.593 -172.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 127.56 35.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 172.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . 0.406 HG13 ' HD2' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -96.79 139.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 -178.084 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.528 HG23 HD13 ' A' ' 35' ' ' LEU . 3.2 mp -112.51 132.93 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.125 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 5.9 t70 -84.17 86.38 7.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.95 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' THR . . . . . 0.494 HG21 HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -79.36 69.41 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 177.654 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -9.82 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.235 0.541 . . . . 0.0 110.776 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.47 94.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.52 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 143.77 -31.71 1.87 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.352 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 5.6 m -79.9 -23.59 41.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 110.5 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 683' ' ' LEU . 0.8 OUTLIER -97.4 112.46 24.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.246 179.145 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -31.62 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -83.39 -26.28 30.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 680' ' ' GLN . 0.1 OUTLIER -135.58 76.27 1.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.915 -177.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.11 139.93 7.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.346 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 93.8 158.21 33.63 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.3 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -151.46 79.85 0.2 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.476 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 95.6 -6.3 67.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.225 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -10.0 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.904 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 73.21 -118.81 6.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.972 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -104.99 11.91 49.04 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.797 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 151.95 18.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.568 0.223 . . . . 0.0 110.667 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.18 58.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.437 0.637 . . . . 0.0 110.537 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -102.02 70.01 0.36 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.678 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.26 68.39 3.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.517 0.675 . . . . 0.0 109.597 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . 100.69 -24.71 31.03 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -173.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 158.03 167.6 19.17 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -9.61 58.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.076 0.465 . . . . 0.0 110.483 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -6.36 57.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.649 175.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 m0 54.8 -127.24 2.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.808 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 35' ' ' LEU . 11.9 mmtt -114.89 125.45 53.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 142.68 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.314 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.72 144.64 34.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.84 -52.91 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -64.13 -64.26 3.77 Favored Glycine 0 CA--C 1.516 0.108 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.784 -173.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -45.9 92.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.9 1.9 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.293 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.32 -113.53 1.22 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.71 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.24 144.82 26.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.814 HG21 ' HB3' ' A' ' 44' ' ' HIS . 3.3 mt -63.93 108.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.52 0.676 . . . . 0.0 110.744 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.88 18.98 13.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 4.3 m-20 -75.97 -71.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 10.5 ttt85 177.92 -65.38 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.648 169.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.3 m-30 -96.09 137.47 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.08 146.06 25.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.264 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.66 170.47 9.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.3 OUTLIER -120.93 149.44 42.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 -177.395 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -140.59 -89.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.668 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.407 ' HG3' ' CE ' ' A' ' 668' ' ' MET . 0.0 OUTLIER -74.85 -80.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.482 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.36 3.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.32 169.59 9.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -96.93 126.97 42.45 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.535 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 16.0 m95 -121.65 179.18 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.034 0.445 . . . . 0.0 111.073 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.814 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.3 p80 -151.5 -175.55 5.24 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.38 67.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -4.11 54.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.696 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.75 -58.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.796 -179.349 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 48' ' ' LEU . 3.7 mt -73.1 86.38 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 110.766 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -143.1 142.91 31.64 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.465 175.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 26.9 t -54.05 132.32 42.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.596 0.56 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.29 -14.88 61.87 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.244 -177.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.421 ' OG ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -97.07 -52.09 3.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -174.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.43 -1.92 16.84 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.992 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 59.74 37.99 21.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.6 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -67.83 124.17 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.97 79.84 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.256 0.551 . . . . 0.0 111.439 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -9.7 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.777 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.09 -25.99 74.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.536 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.5 -35.46 9.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.079 0.942 . . . . 0.0 109.926 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.05 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.14 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.57 ' HA2' HG21 ' A' ' 670' ' ' VAL . . . -73.71 66.28 1.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.815 -171.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.39 148.47 24.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.11 110.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 0.0 111.275 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -177.92 5.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.885 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 667' ' ' LYS . 90.5 m-85 -127.71 147.59 50.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.076 0.465 . . . . 0.0 111.541 -176.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 1.2 t -135.69 173.6 11.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 176.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -163.27 -56.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.607 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -119.96 50.1 1.32 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.25 29.17 66.8 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.633 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.583 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -130.08 129.42 43.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.267 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.534 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -98.28 111.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.49 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 70' ' ' MET . 1.3 mm? -121.51 163.51 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -75.62 -178.08 3.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -62.56 -39.04 92.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.846 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -46.32 17.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.23 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.59 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 1.5 m-20 -72.64 -23.14 60.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.866 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -62.09 -43.14 99.47 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.203 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.453 ' H ' HG13 ' A' ' 78' ' ' ILE . 1.3 mt -71.33 -32.35 46.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -71.61 -36.69 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.671 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HA ' HD22 ' A' ' 80' ' ' LEU . 2.6 mt -80.94 -53.94 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -125.74 -76.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.105 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.411 -174.668 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.56 0.219 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.74 -6.53 8.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.63 20.47 10.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.109 0.481 . . . . 0.0 110.295 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -128.04 82.41 2.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -159.64 113.28 2.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -101.12 54.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -100.53 163.35 12.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.338 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.56 53.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.211 0.529 . . . . 0.0 110.003 177.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.76 63.17 1.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.256 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.85 78.81 1.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.408 0.623 . . . . 0.0 110.525 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -9.52 56.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.873 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.37 -27.45 61.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.448 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.52 72.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.447 0.642 . . . . 0.0 111.281 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -97.79 53.53 1.11 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.75 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.413 ' HB2' ' H ' ' A' ' 656' ' ' SER . 11.8 p-90 -84.71 -153.33 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.623 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' SER . . . . . 0.413 ' H ' ' HB2' ' A' ' 655' ' ' TRP . 1.6 m -77.77 66.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.014 0.435 . . . . 0.0 111.137 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.27 -165.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 23.6 t70 -77.55 124.56 86.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.8 Cg_exo -68.0 -6.21 16.52 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.25 2.634 . . . . 0.0 113.012 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -99.14 -26.67 8.68 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.404 ' HB1' ' HB3' ' A' ' 658' ' ' ASP . . . -67.74 -42.6 81.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.057 0.456 . . . . 0.0 110.179 176.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.46 138.34 34.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.763 173.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.36 40.08 1.41 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.734 -175.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' SER . . . . . 0.67 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -59.43 -33.68 71.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.67 -177.073 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -8.79 57.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.53 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.04 -23.54 17.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.629 -176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.67 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -77.71 123.13 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 0.0 110.289 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 64' ' ' SER . 0.2 OUTLIER -80.74 144.6 32.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -177.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.0 105.31 12.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.402 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 4.2 t -85.32 95.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -90.41 110.33 21.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.788 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.62 122.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.37 129.65 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -81.28 110.41 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.126 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.65 62.7 2.0 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.134 0.492 . . . . 0.0 112.262 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.76 -40.65 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.201 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -75.95 121.14 22.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.618 0.723 . . . . 0.0 110.056 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 117.52 -32.3 5.43 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.374 -174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.6 -47.16 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.992 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -116.63 36.91 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.205 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 3.5 m -81.3 68.82 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.109 0.48 . . . . 0.0 110.996 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -5.69 26.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.194 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.56 103.1 11.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.824 -177.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -76.73 -36.35 37.53 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.65 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 62.33 -125.27 35.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.377 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.62 42.53 2.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 173.52 -151.72 14.05 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.144 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -26.67 9.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.833 0.349 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 155.94 155.15 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.092 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -85.03 62.82 4.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.296 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -129.09 107.02 9.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -27.18 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 0.0 110.146 176.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -176.08 -53.02 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.46 90.85 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.013 0.435 . . . . 0.0 110.433 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -108.04 150.23 16.91 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.661 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 98.85 -53.08 1.1 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.69 86.64 4.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 175.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' TRP . 0.9 OUTLIER -83.05 -35.46 25.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.777 -178.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' SER . 24.7 m95 75.31 135.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.774 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -115.56 134.75 54.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.674 170.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 127.79 35.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.776 -171.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.66 ' SG ' HG13 ' A' ' 30' ' ' ILE . 49.2 m -73.13 154.96 40.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.177 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.49 -6.84 3.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.139 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.05 -42.18 0.86 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.307 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 2.6 p -102.85 -99.66 0.29 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 117.258 0.529 . . . . 0.0 111.878 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.601 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -92.79 -73.61 1.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.472 -174.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.54 ' CA ' ' HB2' ' A' ' 23' ' ' CYS . . . 171.98 -29.52 0.11 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.371 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -117.12 114.53 23.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.57 -0.37 . . . . 0.0 110.536 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.66 HG13 ' SG ' ' A' ' 23' ' ' CYS . 19.1 mt -71.38 108.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.185 0.517 . . . . 0.0 109.84 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.21 18.54 20.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.227 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.94 -179.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HD3' ' HD1' ' A' ' 34' ' ' PHE . 1.7 tmt_? -89.76 -63.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' HD1' ' HD3' ' A' ' 33' ' ' ARG . 1.2 m-85 -100.57 130.8 46.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -100.84 150.19 23.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.12 -179.537 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 44' ' ' HIS . 3.1 mp -123.06 155.77 36.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.941 0.401 . . . . 0.0 110.815 -177.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.0 OUTLIER -106.79 149.36 27.44 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.555 -179.646 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.01 -96.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.486 ' HE1' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -83.55 55.62 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.27 -177.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.18 22.5 7.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.205 0.602 . . . . 0.0 112.206 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -132.13 171.15 14.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.612 ' HD2' HD13 ' A' ' 35' ' ' LEU . 29.0 m-85 -97.23 130.62 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CG ' ' HG ' ' A' ' 48' ' ' LEU . 1.9 m95 -131.8 171.3 13.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.453 0.644 . . . . 0.0 111.376 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.75 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -140.32 -162.97 1.43 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 171.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 1.5 m -58.8 -47.76 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.966 0.348 . . . . 0.0 111.78 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -10.98 59.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.75 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.19 -52.05 3.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.759 0.314 . . . . 0.0 110.728 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.89 77.69 9.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.11 0.481 . . . . 0.0 110.28 179.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 154.35 44.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.533 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 49.8 t -60.16 127.21 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.446 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.36 -6.09 56.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.105 0.479 . . . . 0.0 110.206 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.614 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.59 -51.65 3.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.9 -176.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -113.04 -3.65 13.98 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.287 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 64.97 41.96 4.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.333 178.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.533 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -86.81 123.04 31.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.777 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 45' ' ' SER . 15.2 mt-30 -65.34 94.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.075 0.464 . . . . 0.0 110.564 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' HD11 ' A' ' 60' ' ' ILE . 19.2 mt -79.94 -21.13 44.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.684 -177.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.17 -1.17 56.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.93 3.65 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.856 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -148.36 137.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.037 -179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.27 48.82 2.87 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.593 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 151.17 21.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.692 0.282 . . . . 0.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 103.49 2.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.4 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.459 ' HB2' ' SD ' ' A' ' 668' ' ' MET . 0.2 OUTLIER -79.7 153.41 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.736 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 89.6 m-85 -115.39 158.94 21.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -150.15 171.12 17.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -167.71 -67.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.115 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.04 34.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.243 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.39 2.74 80.7 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.173 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 35.3 mtm -101.74 151.77 21.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.443 HG13 ' HE3' ' A' ' 39' ' ' MET . 0.5 OUTLIER -91.35 123.57 43.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.614 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 4.0 mp -130.86 143.53 50.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.813 0.339 . . . . 0.0 110.786 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.781 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.3 p -73.36 170.24 15.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.342 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.556 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 29.0 mtp-105 -58.71 -45.54 89.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.37 -43.04 82.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.781 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.62 -45.13 69.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.114 -172.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' A' ' 72' ' ' LEU . 26.0 t80 -58.16 -45.17 87.9 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.407 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.3 mt -74.43 -31.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -73.92 -25.25 59.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.822 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD21 ' CE2' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -95.23 -62.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.293 -179.267 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CE2' HD21 ' A' ' 80' ' ' LEU . 85.5 m-85 -107.39 -87.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.001 -174.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.816 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.075 -175.169 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.712 0.291 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 5.5 mt 59.16 32.34 22.01 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.943 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.77 -4.78 25.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.167 177.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -116.19 160.59 20.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.424 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.4 36.05 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.349 0.595 . . . . 0.0 110.925 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.44 -22.52 8.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.174 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -83.94 -8.51 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.15 94.13 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.51 153.98 42.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.27 30.52 15.73 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.509 0.506 . . . . 0.0 111.143 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -80.92 -17.54 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.819 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -68.42 -41.99 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.2 97.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.136 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.62 53.41 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.117 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -98.58 131.37 44.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.562 . . . . 0.0 110.493 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.15 113.29 23.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.116 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -15.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.394 0.616 . . . . 0.0 110.614 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.51 137.51 94.78 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.062 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.63 57.99 6.59 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.097 2.531 . . . . 0.0 112.946 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 85.58 63.82 1.53 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.617 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -88.22 -18.41 28.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 109.939 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.03 -150.39 0.34 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.0 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.58 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.4 mp -113.93 57.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.986 0.422 . . . . 0.0 110.089 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.98 88.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.134 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -77.88 -24.51 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.73 0.3 . . . . 0.0 111.504 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.58 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 29.3 m-85 -92.3 -3.75 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -65.54 123.29 19.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.109 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.775 ' HE1' HG23 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -98.16 85.46 3.47 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.362 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.22 113.77 6.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.271 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.76 HG11 HD23 ' A' ' 36' ' ' LEU . 17.0 t -84.43 115.74 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.491 -174.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.36 118.66 28.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . 0.569 HG13 ' HD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -94.79 120.7 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.581 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.28 128.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.281 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 26.6 t70 -73.59 111.9 9.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.775 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.86 84.93 4.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.908 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -23.06 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 109.806 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 105.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.065 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 140.4 -44.05 1.08 Allowed Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.686 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.75 -40.98 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.37 . . . . 0.0 110.484 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -96.19 107.99 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.006 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -27.85 57.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -81.22 -24.04 37.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.324 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 683' ' ' LEU . 0.2 OUTLIER 66.76 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.268 -177.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -124.42 -177.49 15.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.785 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -67.09 129.85 29.55 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.901 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -75.76 78.97 1.15 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.527 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -73.5 -28.6 65.29 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.031 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -42.45 1.56 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.72 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -156.88 -137.54 2.33 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.052 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 164.78 172.92 32.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.766 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.9 144.43 26.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.25 82.04 3.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 83.97 -78.21 2.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.297 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.49 135.61 34.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -129.88 48.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.413 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 136.23 127.32 2.64 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.26 -9.41 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.38 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -36.1 15.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.434 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.474 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 1.9 m0 57.41 -147.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.668 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.49 45.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 110.457 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 1.7 tpt180 -69.9 128.92 38.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.32 153.85 20.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 110.808 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.15 -61.56 1.69 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.33 -73.37 0.54 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.551 -0.357 . . . . 0.0 113.184 -172.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.01 64.1 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.84 39.84 4.25 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.036 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.472 ' O ' ' HD2' ' A' ' 22' ' ' ARG . . . -130.22 -113.3 1.59 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.999 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -145.86 142.28 28.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.975 HG21 ' HB3' ' A' ' 44' ' ' HIS . 3.2 mt -74.04 108.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 11.51 14.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.371 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 4.6 m-20 -66.54 -86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.195 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.83 -73.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' HD2' HG13 ' A' ' 672' ' ' VAL . 1.8 m-85 -92.01 146.7 23.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.96 136.13 40.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.997 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.76 HD23 HG11 ' A' ' 670' ' ' VAL . 1.1 mt -109.48 135.01 51.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.639 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -99.07 113.38 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.743 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' HD22 ' A' ' 48' ' ' LEU . . . -108.78 -106.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 172.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.8 ptp -84.56 56.17 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.278 0.561 . . . . 0.0 110.484 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.28 -10.26 0.93 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.909 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.89 169.25 14.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.204 -0.31 . . . . 0.0 110.304 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -98.38 119.19 36.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 6.5 m95 -121.24 156.18 33.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.301 0.572 . . . . 0.0 111.41 -177.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.975 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -123.5 -171.75 2.37 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -34.99 78.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.368 0.531 . . . . 0.0 111.355 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 111.319 -179.168 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.664 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.76 -51.83 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 0.0 111.085 -178.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -77.39 71.02 3.85 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.219 -176.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.891 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.49 166.15 26.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.932 176.509 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.493 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.6 t -65.46 127.7 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -78.3 -2.33 37.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.228 0.537 . . . . 0.0 110.329 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.84 -30.78 9.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.813 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 93.8 m -103.49 -23.28 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 57.49 30.3 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.429 0.633 . . . . 0.0 110.163 -172.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.05 37.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.864 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -52.41 118.82 3.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.876 0.735 . . . . 0.0 111.431 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.891 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 1.1 mp -102.15 -21.24 14.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 -14.15 56.67 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.178 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -99.51 20.51 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.22 145.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.034 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.03 -13.19 83.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.626 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 122.84 19.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.284 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.12 128.08 34.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.105 -175.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.541 ' HB3' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -71.03 163.16 28.14 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.334 177.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.686 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 64.9 m-85 -127.1 161.32 28.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -175.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.57 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 1.3 t -152.83 171.11 18.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.573 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HD2' ' OH ' ' A' ' 77' ' ' TYR . 10.2 tttp -163.19 -70.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.3 51.37 1.09 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.294 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.74 28.01 72.77 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.023 175.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 mtm -122.01 129.67 52.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.375 0.588 . . . . 0.0 111.287 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.775 HG23 ' HE1' ' A' ' 668' ' ' MET . 0.3 OUTLIER -78.8 107.99 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.655 ' HG ' ' HB3' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -126.89 161.01 29.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.865 -177.267 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.8 p -82.39 -177.45 6.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.686 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 2.0 tmm_? -65.11 -38.2 89.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.756 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.45 -40.85 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.766 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -66.05 -42.88 88.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.839 -173.705 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.465 ' OH ' ' HD2' ' A' ' 67' ' ' LYS . 46.1 t80 -62.68 -46.19 89.32 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.952 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.21 -31.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.344 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -46.88 29.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -57.18 5.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.093 -175.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -114.14 -107.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 0.0 111.322 -176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.435 0 CA-C-O 117.889 -1.506 . . . . 0.0 110.716 -174.486 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 108.71 12.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -90.55 99.28 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.278 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -88.67 72.23 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.79 107.04 12.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.029 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -95.75 -16.08 22.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.385 0.612 . . . . 0.0 109.842 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.58 161.22 14.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.571 175.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.26 126.76 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.198 0.523 . . . . 0.0 110.626 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.28 52.68 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.771 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . 0.423 ' HB3' HG13 ' A' ' 653' ' ' ILE . 2.4 m-30 -106.73 89.8 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.397 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.8 -23.05 64.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.531 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -37.25 82.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.048 0.451 . . . . 0.0 109.964 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 650' ' ' PHE . 0.6 OUTLIER -118.53 58.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 0.0 109.897 175.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -68.59 -24.56 64.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.498 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.72 157.2 37.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.411 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 1.6 m -64.63 89.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.125 0.488 . . . . 0.0 111.186 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.6 OUTLIER -72.36 -3.68 4.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.369 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 661' ' ' ALA . 0.4 OUTLIER -65.61 122.87 82.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.763 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.94 81.53 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.132 2.555 . . . . 0.0 113.29 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 70.74 35.38 66.54 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.587 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -86.86 -25.62 24.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 110.687 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.16 104.72 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.109 0.481 . . . . 0.0 110.535 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.745 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.7 mp -125.3 15.86 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.476 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -27.4 68.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.403 -177.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -38.8 27.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.259 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.745 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.0 m-85 -73.33 -13.9 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.541 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.76 124.1 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.445 0.64 . . . . 0.0 112.41 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.3 ttp -109.75 111.56 23.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.796 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 146.36 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.53 110.86 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -89.17 117.9 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.008 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.54 132.53 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.632 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.12 118.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -81.07 88.06 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.646 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 95.98 1.24 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.838 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -94.48 -7.36 41.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.794 0.807 . . . . 0.0 109.404 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -92.11 106.52 18.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.894 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.62 1.55 68.27 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.399 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -16.86 44.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 111.217 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.585 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 32.2 mt-30 -101.69 114.48 28.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.452 -176.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -35.47 25.45 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.359 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 7.72 43.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.028 0.442 . . . . 0.0 110.873 -177.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 1.4 mp -125.43 105.21 8.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 97.98 170.56 32.45 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.063 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 89.64 -61.68 3.47 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.46 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -84.21 147.75 23.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.051 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 97.45 -8.47 64.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.194 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.73 -29.0 36.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.825 0.345 . . . . 0.0 111.177 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 161.48 -172.77 37.76 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.268 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -76.69 -20.27 76.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.692 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -91.22 80.57 5.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.727 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' MET . . . . . 0.518 ' HB3' ' HE1' ' A' ' 907' ' ' MET . 2.9 ttp -94.43 100.99 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.13 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -146.19 160.52 28.18 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.836 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 125.59 27.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.614 0.245 . . . . 0.0 110.743 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -93.24 -25.38 19.35 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.698 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -118.9 89.31 0.46 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -108.61 1.29 21.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.95 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.461 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 1.6 m0 56.04 -111.34 0.61 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.273 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HB3' HD13 ' A' ' 30' ' ' ILE . 3.9 tptt -139.92 143.3 36.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.202 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 136.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 7.9 m -61.1 154.34 23.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.892 177.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.82 -27.21 8.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.366 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -103.53 -46.41 1.42 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.191 -0.528 . . . . 0.0 113.317 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' HB2' ' H ' ' A' ' 27' ' ' GLY . 2.6 m -75.64 -90.58 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.211 0.505 . . . . 0.0 110.747 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' H ' ' HB2' ' A' ' 26' ' ' CYS . . . 150.96 64.36 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.642 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.593 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -177.99 -132.85 1.77 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -119.58 142.22 48.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.997 0.427 . . . . 0.0 110.153 174.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.677 HG22 ' HB3' ' A' ' 44' ' ' HIS . 4.9 mt -67.73 109.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.28 28.8 4.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.059 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.49 ' H ' HG21 ' A' ' 30' ' ' ILE . 3.3 m-20 -95.91 -178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.526 177.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -100.09 -53.26 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.75 123.42 44.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.683 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.55 150.95 22.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.4 mm? -115.65 144.24 44.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 -176.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.487 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -93.84 146.92 23.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.803 172.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.46 -100.4 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.22 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttm -86.4 55.84 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.016 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.59 -9.24 1.22 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.357 0.663 . . . . 0.0 112.706 172.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 170.16 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.661 0.267 . . . . 0.0 110.689 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -93.41 118.95 31.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -120.9 160.89 22.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.703 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -122.88 -167.07 1.53 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 168.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.563 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -62.51 -28.09 69.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.716 0.293 . . . . 0.0 111.502 -178.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -22.56 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.703 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -86.78 -52.87 5.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.155 0.503 . . . . 0.0 109.8 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.14 87.0 5.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.218 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.949 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.33 174.76 10.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.012 176.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.62 132.82 42.07 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.427 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.35 -3.84 48.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 -50.65 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.866 -175.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.62 -8.5 13.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.591 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.452 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.0 mm100 66.07 26.23 10.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.635 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.52 150.65 48.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.362 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.23 105.99 1.23 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.258 0.551 . . . . 0.0 111.551 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.949 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 3.8 mp -102.54 -8.8 20.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.044 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.563 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -92.88 -57.86 1.37 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.529 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.41 -0.02 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.41 0.624 . . . . 0.0 111.247 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mm -126.52 136.15 61.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.184 -0.917 . . . . 0.0 108.982 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.76 3.42 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.671 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.88 115.68 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 114.5 5.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.529 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.61 167.37 12.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.897 -178.532 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.787 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 78.1 m-85 -131.21 149.19 52.68 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 t -123.53 175.33 6.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.025 0.441 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -166.83 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 31.95 5.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.756 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.16 27.27 70.46 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 136.95 49.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.89 113.99 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.639 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 153.37 52.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.962 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -76.21 173.32 11.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.787 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -61.44 -34.52 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.926 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -82.58 -33.12 28.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.066 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.689 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -82.19 -37.94 25.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.922 -174.104 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -55.06 -41.66 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt -67.9 -35.6 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 111.2 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -38.8 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -58.34 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.2 -177.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.7 -67.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.907 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.168 -1.351 . . . . 0.0 110.98 -173.623 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 642' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 641' ' ' SER . 0.4 OUTLIER 70.64 -72.69 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.322 0.649 . . . . 0.0 111.682 178.495 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.75 96.82 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.263 0.554 . . . . 0.0 110.761 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.04 73.77 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.34 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.83 147.69 24.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.646 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -106.77 -57.91 2.0 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.707 0.289 . . . . 0.0 111.05 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.2 114.82 27.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.478 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.36 167.0 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.767 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.81 136.15 35.42 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.47 80.36 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 0.0 111.328 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -70.14 -15.56 62.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.917 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.62 -49.56 52.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.597 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.45 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.0 OUTLIER -100.87 102.7 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.81 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -124.58 111.85 16.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.165 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -99.44 102.55 14.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 0.0 110.443 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.92 55.89 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.951 -177.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.46 ' HB ' ' H ' ' A' ' 658' ' ' ASP . 0.5 OUTLIER -137.24 -158.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.385 178.564 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 661' ' ' ALA . 6.9 t70 -96.24 110.91 54.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.314 176.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.27 -13.89 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.531 2.154 . . . . 0.0 112.46 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -102.75 7.66 53.5 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.132 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -71.81 -16.5 62.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.205 0.526 . . . . 0.0 110.65 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -92.49 15.41 14.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.52 0.676 . . . . 0.0 110.175 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 13.4 mt -125.78 49.97 1.89 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.248 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' SER . . . . . 0.739 ' HA ' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -52.8 -53.89 41.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.619 -174.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.84 -10.07 59.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.634 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 89.5 m-85 -92.78 -22.23 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.86 -173.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.739 ' HE3' ' HA ' ' A' ' 664' ' ' SER . 0.1 OUTLIER -86.26 128.77 34.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.165 0.507 . . . . 0.0 110.735 -179.048 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 17.2 ptp -95.19 140.28 30.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.021 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -84.1 117.13 23.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 13.4 t -84.48 94.59 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.971 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.83 103.19 15.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.31 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.21 124.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.29 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.89 124.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 0.0 110.53 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.406 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 7.1 t70 -78.1 98.58 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.75 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 117.96 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.89 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -4.44 55.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.092 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -176.24 3.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.693 0.758 . . . . 0.0 112.087 -169.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.04 -4.74 74.46 Favored Glycine 0 C--N 1.318 -0.431 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.277 -175.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.29 -3.0 41.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.71 52.34 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -45.9 92.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.292 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -83.52 -19.7 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.72 -17.36 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 142.16 55.68 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.058 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -109.88 87.17 0.46 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.94 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 164.0 177.84 37.08 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.922 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -157.62 -150.57 5.76 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.02 69.62 5.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 110.721 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 72.02 -120.09 7.75 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -86.48 -8.74 76.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.594 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.96 79.54 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 110.631 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 4.9 ttp -100.46 129.03 46.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.087 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -167.85 101.45 0.18 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.105 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.81 75.3 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.382 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -65.41 156.23 48.7 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.612 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 96.97 -36.91 3.64 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.632 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 143.7 30.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.954 0.407 . . . . 0.0 110.479 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.75 -22.41 14.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.988 176.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.45 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.1 m-90 62.32 -84.19 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.912 0.757 . . . . 0.0 111.056 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 2.9 mmtm -133.59 124.8 27.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.355 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.24 115.63 30.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.967 0.413 . . . . 0.0 110.996 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 156.54 37.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.38 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.38 -7.55 59.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.87 -86.93 1.24 Allowed Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.004 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.6 p -70.18 -31.93 69.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.674 0.273 . . . . 0.0 110.77 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.68 90.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.659 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.91 -91.77 0.43 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.582 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -166.72 145.44 5.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 21' ' ' LYS . 80.9 mt -74.16 108.82 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.437 0.637 . . . . 0.0 110.925 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.54 19.25 20.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.676 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -89.39 175.25 7.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.885 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.9 -54.36 4.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.6 m-85 -100.98 132.11 46.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.4 147.94 25.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 173.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD12 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -126.99 156.33 41.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.965 0.412 . . . . 0.0 111.399 -172.232 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.7 OUTLIER -103.31 150.2 23.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.639 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.43 -79.6 0.5 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.277 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -98.5 -67.19 0.86 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.348 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -149.47 -1.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.424 . . . . 0.0 110.86 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.55 166.56 10.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.578 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.96 124.8 50.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -119.91 174.8 6.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.404 0.621 . . . . 0.0 111.413 -173.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.631 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -127.84 -179.03 4.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.391 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -62.38 -24.09 67.18 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -11.33 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -100.57 -53.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.715 0.293 . . . . 0.0 111.144 -178.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.48 83.91 4.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 110.735 -178.216 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 168.41 19.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.544 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 28.0 t -65.76 132.33 48.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.364 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -79.53 -6.31 56.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.036 0.446 . . . . 0.0 110.485 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -103.83 -51.72 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.974 -178.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.6 p -112.21 -0.64 15.46 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.525 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 12.9 mm100 66.19 30.09 9.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.355 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.544 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -67.86 123.64 21.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.38 75.77 0.55 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 73' ' ' CYS . 11.4 mt -64.81 -21.14 66.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.9 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . -80.81 -18.62 69.78 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.376 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -101.09 10.21 41.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.668 0.747 . . . . 0.0 110.637 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.47 150.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.526 176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.07 49.47 1.83 Allowed Glycine 0 C--N 1.317 -0.484 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.957 173.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.61 132.86 37.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.846 0.355 . . . . 0.0 111.47 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.89 85.62 3.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.038 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.54 141.81 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 666' ' ' TYR . 79.0 m-85 -114.08 160.2 19.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.685 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -152.1 157.08 41.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.1 0.476 . . . . 0.0 111.259 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -71.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.738 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.52 18.96 0.39 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.603 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.07 76.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.199 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.1 mtm -102.12 139.1 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.615 -0.344 . . . . 0.0 110.302 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.99 123.71 37.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 HD13 ' A' ' 80' ' ' LEU . 3.7 mp -134.61 148.95 50.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.492 0.187 . . . . 0.0 110.538 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 25.9 p -72.81 168.8 18.1 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.99 0.424 . . . . 0.0 110.513 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -61.5 -36.41 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.786 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -41.08 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.745 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.61 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -70.75 -48.71 53.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.193 -175.11 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 26.5 t80 -58.99 -47.59 84.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.582 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -40.57 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -69.96 -42.83 72.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.021 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD13 HD21 ' A' ' 72' ' ' LEU . 39.0 mt -76.56 -62.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.823 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.435 ' HE1' HD22 ' A' ' 72' ' ' LEU . 34.7 m-85 -101.42 -71.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.827 -173.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.907 0 CA-C-O 118.977 -0.902 . . . . 0.0 111.666 -173.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.962 0.41 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.6 54.22 0.78 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 110.752 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -78.0 70.88 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -93.62 5.64 50.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.376 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -124.76 171.4 10.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -88.67 162.88 16.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.816 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.43 107.24 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.5 111.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.444 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.229 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -83.64 153.74 24.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . 0.599 ' HA ' ' HG2' ' A' ' 654' ' ' GLN . 0.0 OUTLIER -86.28 -29.64 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -55.98 -50.41 70.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.601 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.434 ' O ' ' HD1' ' A' ' 655' ' ' TRP . 0.2 OUTLIER -104.94 74.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 174.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . 0.599 ' HG2' ' HA ' ' A' ' 651' ' ' GLU . 1.9 mm-40 -79.01 59.94 2.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 110.479 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.434 ' HD1' ' O ' ' A' ' 653' ' ' ILE . 5.5 p-90 -100.06 149.26 23.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.844 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.1 166.66 10.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.1 mm -76.76 106.94 7.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.008 0.432 . . . . 0.0 110.316 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 0.8 OUTLIER -68.24 130.04 92.6 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.502 177.238 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.4 Cg_exo -67.62 68.67 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.203 2.602 . . . . 0.0 113.106 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.13 91.53 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.018 175.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -76.12 -61.18 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.761 0.315 . . . . 0.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -103.04 -172.27 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.934 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 77' ' ' TYR . 7.5 mt -103.77 24.79 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.609 . . . . 0.0 110.194 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' SER . . . . . 0.494 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -60.11 -27.08 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.839 -178.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -83.09 -19.11 37.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -90.74 -20.71 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.11 0.481 . . . . 0.0 110.138 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -78.5 141.17 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.23 178.714 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 39' ' ' MET . 1.2 mtm -89.7 124.41 34.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.24 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 111.24 6.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.408 . . . . 0.0 109.928 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 5.0 t -83.53 107.54 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.426 -170.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.3 m -89.94 112.76 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.406 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.53 113.35 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.651 0.262 . . . . 0.0 110.392 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.0 mp -84.81 125.62 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.397 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.499 ' OD2' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -92.03 117.8 30.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.735 0.779 . . . . 0.0 110.325 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 69.2 10.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.79 -174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.499 ' HG2' ' OD2' ' A' ' 674' ' ' ASP . 0.0 OUTLIER -75.46 -19.47 59.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 178.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -85.62 -178.35 6.63 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.236 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 84.49 -53.55 4.84 Favored Glycine 0 C--N 1.314 -0.655 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -1.29 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.401 0.28 . . . . 0.0 111.566 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -88.89 37.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.099 0.476 . . . . 0.0 111.042 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -21.47 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.757 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -11.65 59.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.794 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -54.11 5.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.297 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 88.87 -82.52 1.49 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.912 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 120.17 142.48 6.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.364 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -69.23 104.31 1.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.014 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 104.3 -1.72 43.45 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.777 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 1.4 m -103.47 69.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.241 0.543 . . . . 0.0 110.338 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -112.31 16.51 24.6 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.304 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -108.39 -134.56 7.28 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.595 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -125.04 134.57 52.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.726 0.298 . . . . 0.0 110.389 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 82.26 5.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -63.9 139.6 43.03 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.868 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.86 100.31 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -85.19 82.12 1.7 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 106.32 108.2 3.28 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.42 13.88 2.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 111.447 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -29.88 14.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.158 175.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.535 ' CZ3' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 40.97 -101.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.162 0.913 . . . . 0.0 110.999 -175.023 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 6.4 mmtm -108.48 95.16 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.4 134.1 45.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.902 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.706 ' HB3' HG13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -89.89 154.18 20.06 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -175.006 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.54 -59.32 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -167.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.15 -65.04 3.32 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.193 -171.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -38.36 89.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.11 20.1 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.563 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.87 -146.73 9.13 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 1.4 mppt? -113.1 133.0 55.22 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.706 HG13 ' HB3' ' A' ' 23' ' ' CYS . 8.0 mt -68.16 105.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.3 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.05 11.97 27.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.588 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -176.72 6.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.004 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -63.73 1.27 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.683 0.278 . . . . 0.0 111.103 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.7 m-85 -97.34 125.27 41.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 111.308 -173.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.71 144.07 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.988 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 36' ' ' LEU . 2.5 mm? -109.45 141.08 42.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.15 -175.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -103.79 102.56 12.39 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.729 173.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.589 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -101.68 -96.83 0.28 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.564 ' HG3' ' SD ' ' A' ' 668' ' ' MET . 8.6 mtt -64.68 -50.01 68.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.629 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 172.75 -14.61 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.694 0.759 . . . . 0.0 109.158 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.93 171.09 11.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.369 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -92.82 116.2 28.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.533 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 10.3 m95 -113.29 173.01 6.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.271 0.558 . . . . 0.0 110.746 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.3 p80 -135.98 -175.78 4.09 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.637 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -55.52 -45.38 77.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.744 0.247 . . . . 0.0 111.582 -178.182 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.734 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -81.67 -6.62 59.19 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -175.211 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.98 -47.09 7.77 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.858 -0.526 . . . . 0.0 110.328 177.323 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 38' ' ' ALA . 4.5 mt -76.46 73.87 3.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.925 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 151.9 45.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.124 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.1 t -61.1 135.89 57.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -0.55 30.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.159 0.504 . . . . 0.0 110.506 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.9 -34.04 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 85.5 m -92.45 -35.4 13.67 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.71 0.29 . . . . 0.0 110.745 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 19.67 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.161 -169.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.26 130.24 35.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.804 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.734 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.81 108.98 10.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -176.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.41 -1.3 57.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.25 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -61.67 -25.16 65.12 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.948 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -99.95 12.42 36.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.353 0.597 . . . . 0.0 110.864 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -117.11 140.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.207 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.94 13.83 35.38 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.944 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.73 124.94 42.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.723 0.297 . . . . 0.0 110.236 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.447 ' HB2' ' HG3' ' A' ' 667' ' ' LYS . 1.1 m -79.96 130.32 35.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.451 . . . . 0.0 111.171 -175.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.24 172.56 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 177.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.782 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 77.4 m-85 -115.04 157.52 23.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 159.37 42.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 68' ' ' SER . 2.7 tttm -159.55 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.775 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -81.38 60.28 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.588 -177.289 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.47 28.46 71.23 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.234 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.7 mtm -139.06 139.43 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.706 0.253 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.74 112.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.448 . . . . 0.0 109.814 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.56 155.91 27.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.634 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.86 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -68.94 176.31 3.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.812 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.782 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -59.88 -48.02 83.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.815 -178.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.15 -39.8 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.86 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.55 -42.57 74.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.857 -175.025 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.442 ' HE2' HD21 ' A' ' 663' ' ' LEU . 32.3 t80 -58.47 -46.19 87.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.701 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.432 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 32.7 mt -65.46 -37.27 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.024 0.44 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.099 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.97 -56.43 3.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.428 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -118.1 -71.19 0.75 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -175.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.649 -1.084 . . . . 0.0 111.743 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.942 0.401 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 5.4 tp -114.96 86.55 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.148 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.59 135.66 53.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.617 -176.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 30.5 t30 57.16 40.05 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.825 -1.08 . . . . 0.0 112.281 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -109.82 -77.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 54.12 48.49 20.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.632 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -73.0 108.75 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.617 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.62 119.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.266 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.71 85.04 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -12.74 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.5 -176.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.77 -12.77 47.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -68.15 -44.68 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.456 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.515 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.0 OUTLIER -81.7 93.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.269 177.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -102.84 89.82 3.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.895 0.378 . . . . 0.0 110.751 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -69.37 120.03 14.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.6 49.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.035 0.445 . . . . 0.0 111.143 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.417 ' HB ' ' H ' ' A' ' 658' ' ' ASP . 4.2 pt -133.65 -158.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.14 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.417 ' H ' ' HB ' ' A' ' 657' ' ' ILE . 0.4 OUTLIER -90.71 108.75 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.44 76.1 4.39 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.443 2.762 . . . . 0.0 113.31 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.92 55.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.05 173.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -90.08 -9.4 48.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 171.42 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.16 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.544 HD12 HD11 ' A' ' 78' ' ' ILE . 2.5 mt -82.29 8.3 11.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' SER . . . . . 0.88 ' HA ' ' HG3' ' A' ' 667' ' ' LYS . 70.1 m -66.77 -21.71 66.05 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.234 -0.291 . . . . 0.0 111.441 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -23.06 56.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -100.86 10.02 41.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.725 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.88 ' HG3' ' HA ' ' A' ' 664' ' ' SER . 0.9 OUTLIER -72.8 136.08 45.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.39 0.614 . . . . 0.0 111.433 -176.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.411 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 26.4 ttp -117.59 120.05 36.88 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.258 172.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.83 126.59 39.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.231 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -84.27 118.14 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.693 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 140.52 29.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.71 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.61 119.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.679 0.276 . . . . 0.0 110.966 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.659 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.79 127.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.58 110.72 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.844 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.38 70.1 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -47.23 72.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.534 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . 0.43 ' HA ' ' HG3' ' A' ' 680' ' ' GLN . 1.7 t0 -83.2 24.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.46 0.648 . . . . 0.0 111.883 -173.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -97.88 -27.21 9.09 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.021 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -19.18 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.321 . . . . 0.0 111.064 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.43 ' HG3' ' HA ' ' A' ' 677' ' ' ASP . 2.6 pt20 -118.93 -47.73 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.621 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 55.4 m 57.86 43.76 21.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.814 0.816 . . . . 0.0 110.001 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.26 -19.37 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.416 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.79 -42.59 14.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.659 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -175.8 -63.27 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.027 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 66.27 -107.28 1.9 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -107.64 -95.83 2.42 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 83.79 91.23 0.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.708 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 36.9 m -137.61 130.6 30.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -78.5 -34.54 35.47 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.351 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -83.69 -101.31 0.55 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.646 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.46 149.98 49.7 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 4.5 ttp -82.58 62.56 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.191 0.519 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -117.27 98.32 0.78 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.41 176.14 5.46 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -97.18 147.06 18.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.809 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 64.17 -104.88 0.97 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.932 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 18' ' ' LEU . 19.1 tp -146.17 140.61 26.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -89.46 -31.4 17.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.251 -175.63 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.515 ' CH2' ' HE2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -113.41 -125.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -175.046 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -121.28 140.64 51.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.512 . . . . 0.0 111.803 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.71 138.61 31.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.522 ' HB3' HG13 ' A' ' 30' ' ' ILE . 8.3 p -91.77 154.8 18.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.092 0.472 . . . . 0.0 112.257 -171.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.523 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -68.91 -71.24 1.0 Allowed Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.399 -0.429 . . . . 0.0 113.476 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.09 -42.84 69.8 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 110.725 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.99 40.11 7.2 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.831 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.89 -78.23 0.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.816 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -176.35 143.32 0.5 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.645 HG23 ' HB3' ' A' ' 44' ' ' HIS . 14.4 mt -73.02 109.11 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.113 0.482 . . . . 0.0 110.476 178.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 35.16 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.665 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.582 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -90.89 -111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.388 176.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' H ' ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -155.8 -67.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.229 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -96.05 145.3 25.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.576 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.659 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 5.8 mp -93.43 139.11 31.06 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 -177.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HB3' HD12 ' A' ' 48' ' ' LEU . 3.1 mt -107.95 123.01 48.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -91.08 109.03 20.27 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.705 -177.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB1' ' SD ' ' A' ' 668' ' ' MET . . . -132.35 131.54 42.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.0 mtm 67.95 -61.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 124.106 0.878 . . . . 0.0 111.311 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -171.14 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.567 0.347 . . . . 0.0 110.601 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.63 169.82 8.4 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.794 0.33 . . . . 0.0 111.385 -171.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.68 117.1 33.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.586 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.596 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m95 -113.84 172.91 6.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.149 0.5 . . . . 0.0 110.935 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.8 p80 -131.94 -173.75 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -53.64 -46.26 70.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.047 0.385 . . . . 0.0 112.028 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.53 -6.89 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.926 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -99.85 -49.18 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.197 177.347 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.596 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -77.8 69.29 4.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.317 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.627 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -143.39 157.47 44.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.805 177.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 26.6 p -72.28 145.97 47.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.884 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -9.65 59.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -176.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.16 -47.47 6.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 -9.24 14.68 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.615 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER 64.83 40.27 5.61 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.56 -176.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . . . -77.35 106.43 9.1 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 1.1 mm100 -62.12 90.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 110.865 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.698 HD22 ' HA ' ' A' ' 73' ' ' CYS . 4.0 mt -68.67 -16.56 63.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 -11.54 66.1 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.242 175.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.19 -6.55 27.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.311 1.053 . . . . 0.0 109.625 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 57' ' ' LEU . 21.8 mt -106.32 109.21 27.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.616 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.55 -4.34 84.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.346 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.71 157.24 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -59.75 117.04 4.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.46 -176.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.73 172.99 7.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.74 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -126.45 158.3 36.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.634 0.254 . . . . 0.0 110.767 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -152.59 170.92 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.354 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -161.2 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -83.03 34.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.955 -175.805 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.2 71.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.525 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.04 143.06 46.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.695 0.283 . . . . 0.0 110.328 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 0.6 OUTLIER -102.01 108.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.624 178.677 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.744 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.7 OUTLIER -123.43 156.72 34.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.666 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.3 p -75.3 174.6 9.31 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.02 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -57.75 -38.24 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -29.85 31.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.714 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.744 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.44 -51.6 28.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -174.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.44 ' OH ' ' HE2' ' A' ' 67' ' ' LYS . 46.2 t80 -55.57 -43.9 76.34 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.45 0.469 . . . . 0.0 111.16 -175.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.544 HD11 HD12 ' A' ' 663' ' ' LEU . 12.5 mm -62.02 -39.64 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.822 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 79' ' ' ARG . 9.5 ttp85 -76.42 -40.39 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.112 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -56.31 5.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -178.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -119.75 -80.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.022 0.439 . . . . 0.0 110.485 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 CA-C-O 118.615 -1.103 . . . . 0.0 111.109 -176.1 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.613 0.244 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.718 HD11 ' HG3' ' A' ' 643' ' ' GLN . 0.1 OUTLIER -78.9 -37.4 40.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.37 . . . . 0.0 110.7 179.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . 0.718 ' HG3' HD11 ' A' ' 642' ' ' LEU . 0.0 OUTLIER -84.13 85.95 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.14 -179.409 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -141.03 131.03 24.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -127.18 142.76 51.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -2.07 12.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.17 0.509 . . . . 0.0 110.625 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -100.62 45.52 0.97 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.638 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.49 -60.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.634 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.16 147.36 49.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.979 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -91.27 -10.74 40.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.159 0.504 . . . . 0.0 110.318 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . 0.793 ' HA ' ' HG2' ' A' ' 654' ' ' GLN . 3.8 mp0 -67.28 -20.68 65.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -32.02 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.442 HD12 HG21 ' A' ' 653' ' ' ILE . 0.0 OUTLIER -108.17 41.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.55 0.691 . . . . 0.0 110.576 -179.308 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . 0.793 ' HG2' ' HA ' ' A' ' 651' ' ' GLU . 17.7 mm-40 -84.59 -15.86 44.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.221 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -79.33 152.98 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.132 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 10.2 m -85.75 106.9 17.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 0.0 111.754 -172.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.32 139.01 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.727 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 12.3 t70 -66.26 115.74 26.64 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.421 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 10.2 Cg_endo -90.26 29.01 0.41 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.52 2.814 . . . . 0.0 112.181 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 95.01 31.54 7.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.748 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.9 76.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 0.0 109.519 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 663' ' ' LEU . 8.5 t0 -127.36 169.46 13.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.635 173.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.653 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 3.6 mp 72.03 5.74 5.4 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.785 0.678 . . . . 0.0 110.587 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -35.66 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.959 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -83.9 -9.57 58.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.307 0.575 . . . . 0.0 110.473 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.653 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.1 m-30 -93.32 -17.43 23.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 145.34 37.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 111.767 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.407 ' HE1' ' HE3' ' A' ' 39' ' ' MET . 19.8 ptp -103.41 152.82 21.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.75 117.49 29.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.74 95.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.357 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -97.18 144.26 27.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.55 129.37 75.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.11 122.99 38.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.134 0.492 . . . . 0.0 110.287 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.28 77.93 4.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.966 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.37 66.89 8.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -87.85 -5.03 58.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.49 . . . . 0.0 110.608 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.22 88.1 5.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.071 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 157.78 -30.27 0.5 Allowed Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -18.83 49.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 174.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.92 118.41 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.712 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 25.05 7.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 110.772 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 0.73 47.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.484 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.38 74.18 3.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.143 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.76 42.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.702 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -80.05 99.62 1.81 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.808 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -76.98 -15.64 81.49 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.006 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -159.61 -156.77 8.24 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.905 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -37.69 69.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.211 0.529 . . . . 0.0 110.515 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 99.23 54.99 1.06 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -151.0 -32.8 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.415 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -135.0 103.11 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.783 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.02 176.63 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.982 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 118.65 67.06 0.32 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.25 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.02 99.44 2.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 0.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -96.64 -173.27 35.02 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.229 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 74.29 48.43 14.64 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.328 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 2.19 7.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.429 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -29.43 27.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.438 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 49.68 -97.97 0.05 OUTLIER 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.232 -174.636 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -138.56 138.51 38.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.291 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.11 130.15 44.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.7 p -82.34 154.77 25.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.123 0.487 . . . . 0.0 111.545 -175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.75 -21.93 24.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.67 -169.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -79.73 1.02 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.19 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 111.334 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 44.1 1.94 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.059 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 174.01 21.58 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -71.63 126.63 30.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.36 0.58 . . . . 0.0 109.531 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mt -65.75 108.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.213 0.53 . . . . 0.0 110.884 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.11 15.08 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.69 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 155.96 27.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.738 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 3.3 ttp180 -72.99 -55.34 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.306 -177.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.738 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 4.5 m-85 -100.86 121.89 42.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.969 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 151.5 19.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.641 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 HD23 ' HA3' ' A' ' 58' ' ' GLY . 0.7 OUTLIER -119.94 163.04 18.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.984 0.421 . . . . 0.0 111.457 -175.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -117.21 148.98 41.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.625 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.18 -74.64 0.42 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.407 ' HE3' ' HE1' ' A' ' 668' ' ' MET . 1.8 mtm -91.15 -76.77 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.326 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -151.02 -0.02 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.015 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.3 168.04 12.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.404 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -103.39 123.02 46.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.529 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.5 m95 -118.65 -179.89 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 0.0 111.179 -174.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.8 p80 -145.93 -171.48 3.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.717 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -50.19 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -77.49 -11.73 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -102.18 -43.03 5.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.038 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD23 ' CG ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -76.85 71.44 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.466 0.65 . . . . 0.0 110.522 -176.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.2 164.46 30.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.654 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 48.8 t -60.62 131.78 51.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.479 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -78.7 -7.16 57.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.142 0.496 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.483 ' HB3' ' CG ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -98.37 -51.76 3.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.668 -176.109 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.46 -4.67 13.55 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.681 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 6.2 mm100 66.91 37.54 3.94 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.422 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.64 133.89 35.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.75 126.44 29.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.0 110.994 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD11 ' HB3' ' A' ' 64' ' ' SER . 2.9 mt -105.57 1.24 27.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.064 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA3' HD23 ' A' ' 36' ' ' LEU . . . -92.1 -52.96 2.12 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.604 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.5 8.15 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.44 0.638 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.88 143.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.897 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.65 39.87 1.32 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.142 -0.552 . . . . 0.0 113.612 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.22 126.28 47.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.767 0.284 . . . . 0.0 110.661 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 119.79 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.659 ' HB3' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.73 135.43 38.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.403 . . . . 0.0 110.653 179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.84 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 72.9 m-85 -112.62 152.57 28.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.14 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -142.81 178.24 7.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 0.0 111.158 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 7.1 tttp -164.73 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.248 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.02 39.39 1.8 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.637 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.92 -25.1 3.61 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 116.02 -0.537 . . . . 0.0 113.265 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.51 ' HB3' HD12 ' A' ' 72' ' ' LEU . 19.8 ttm -68.31 137.57 54.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.14 122.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.908 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 70' ' ' MET . 3.6 mp -133.7 156.66 47.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.722 0.296 . . . . 0.0 110.924 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.0 p -76.95 176.35 8.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.147 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.84 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 6.7 ttt85 -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -45.37 22.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.71 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -69.37 -39.98 77.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.496 -175.664 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.58 ' HD2' HD23 ' A' ' 663' ' ' LEU . 49.8 t80 -62.84 -42.77 99.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.361 -177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.601 HD11 HD21 ' A' ' 663' ' ' LEU . 12.0 mm -68.6 -33.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.503 . . . . 0.0 110.284 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 ttm105 -69.87 -39.56 76.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.418 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -83.53 -60.45 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.82 -176.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.41 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 30.4 m-85 -119.99 -92.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.881 0.372 . . . . 0.0 110.938 -175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.704 -1.053 . . . . 0.0 111.623 -177.303 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.0 62.67 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.244 0.545 . . . . 0.0 111.433 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.71 99.14 11.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -68.66 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -162.7 137.02 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.379 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.71 85.24 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -47.76 122.2 4.73 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.63 125.69 74.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.281 -172.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.22 125.08 38.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 167.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . 0.589 ' HB2' ' OD1' ' A' ' 652' ' ' ASN . 7.9 m-85 -85.88 172.47 10.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.626 0.25 . . . . 0.0 110.878 -175.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.41 -14.79 58.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . 0.589 ' OD1' ' HB2' ' A' ' 650' ' ' PHE . 1.7 p30 -77.24 -34.01 55.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.998 0.428 . . . . 0.0 110.283 177.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.504 HD11 ' H ' ' A' ' 650' ' ' PHE . 0.9 OUTLIER -90.69 62.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.262 0.554 . . . . 0.0 111.036 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -87.83 84.58 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.549 ' HB2' HG12 ' A' ' 657' ' ' ILE . 0.0 OUTLIER -67.41 134.99 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.634 -176.041 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.28 37.08 1.11 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.698 175.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.549 HG12 ' HB2' ' A' ' 655' ' ' TRP . 2.0 pt -76.47 179.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.328 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -100.19 116.92 64.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.63 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.22 -5.36 13.57 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.265 2.644 . . . . 0.0 113.043 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -120.2 15.14 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.005 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -90.52 -25.0 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 111.442 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -98.0 118.71 35.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.622 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.539 HD21 ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -106.04 -10.68 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 -34.74 77.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 -174.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -23.84 67.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.166 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.15 8.42 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.702 -175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.28 123.9 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.756 0.313 . . . . 0.0 110.741 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.461 ' HE2' ' SD ' ' A' ' 39' ' ' MET . 10.1 ptp -90.82 153.33 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.545 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -99.58 113.15 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.976 0.417 . . . . 0.0 110.653 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.2 t -84.76 94.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -89.87 110.45 21.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 177.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.82 122.03 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 35' ' ' LEU . 3.6 mp -96.36 123.12 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 4.9 m-20 -79.67 102.25 8.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.042 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.85 114.54 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.556 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 -34.59 19.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.578 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.35 59.78 2.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -152.96 -42.34 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.187 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -14.74 58.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 0.0 110.912 177.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.95 91.02 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.29 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -17.89 54.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.329 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -10.88 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 108.0 2.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 127.12 -20.53 5.92 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.755 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -132.09 52.47 0.83 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.402 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -99.58 66.74 0.61 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.305 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 151.44 -162.19 29.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.646 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.62 -164.02 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 87.02 -56.51 4.62 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.043 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -153.93 -162.85 11.39 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.636 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.1 98.16 4.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.884 0.374 . . . . 0.0 110.555 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -47.9 74.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.501 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 71.65 -162.53 54.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.679 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.92 134.4 37.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -85.01 53.22 4.79 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.498 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 138.7 100.46 0.5 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.931 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.0 17.57 10.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.275 0.559 . . . . 0.0 110.525 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.194 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER 50.51 -113.33 0.67 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.914 -177.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -119.93 136.54 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.8 tpt180 -92.27 144.95 24.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 25' ' ' GLY . 29.7 t -90.98 154.66 19.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.85 16.29 15.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.218 0.532 . . . . 0.0 110.51 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' SG ' ' A' ' 23' ' ' CYS . . . -111.0 -54.95 0.52 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.275 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 p -94.91 -95.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.506 0.653 . . . . 0.0 110.802 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.39 77.3 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.14 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.1 -152.16 23.71 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.272 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -100.42 157.56 16.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.563 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.846 HG22 ' HB3' ' A' ' 44' ' ' HIS . 13.3 mt -73.49 109.4 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.78 10.69 28.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -82.45 11.4 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.486 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER 72.43 -68.52 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.092 -176.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.9 m-85 -93.66 126.55 38.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.155 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.09 147.64 25.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.169 179.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.9 164.27 20.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.618 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -116.85 150.0 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.108 178.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.51 -86.82 0.33 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.136 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.461 ' SD ' ' HE2' ' A' ' 668' ' ' MET . 4.6 mpp? -83.34 -79.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.24 177.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -137.68 -7.33 1.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.44 170.26 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.687 -169.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -89.64 137.3 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.844 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 22.0 m95 -134.27 179.5 6.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.015 0.436 . . . . 0.0 110.684 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.846 ' HB3' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -145.66 174.26 11.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.535 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -49.3 21.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.59 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -172.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.897 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 1.2 m -101.6 -32.79 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.57 ' HG ' ' CB ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -75.67 68.08 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.628 0.727 . . . . 0.0 109.844 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.897 ' HZ2' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -131.56 162.76 29.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.209 -177.312 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 40.7 t -63.19 132.11 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.219 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -75.06 -9.37 58.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.126 0.488 . . . . 0.0 110.453 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 -51.3 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.06 0.25 14.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.453 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 66.75 20.94 10.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.214 177.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.02 117.1 7.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.44 0.162 . . . . 0.0 110.568 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 58.8 mt-30 -75.12 86.11 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -22.57 58.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.237 -176.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.45 -14.06 71.58 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.683 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -98.25 8.67 44.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.489 0.661 . . . . 0.0 110.216 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.9 mt -117.18 -58.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.356 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 -19.84 11.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.143 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.87 143.48 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.49 118.44 8.14 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.455 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 179.7 7.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.972 172.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.584 ' HE1' ' HB3' ' A' ' 74' ' ' ARG . 92.3 m-85 -124.84 166.48 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.71 0.29 . . . . 0.0 110.754 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 t -158.05 175.09 14.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -167.3 -65.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.806 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.26 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.95 -24.29 2.87 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.257 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtm -78.2 141.14 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.633 -0.333 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.79 123.63 42.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.23 149.06 52.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.75 0.309 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.7 p -71.39 170.56 12.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.585 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.584 ' HB3' ' HE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.26 -29.81 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.76 -45.56 24.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.724 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.606 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -74.55 -38.19 62.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.077 -172.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.539 ' HE2' HD21 ' A' ' 663' ' ' LEU . 50.5 t80 -58.69 -43.58 90.05 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.145 -176.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.76 -32.26 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.161 0.505 . . . . 0.0 110.695 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -72.66 -38.19 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.454 178.42 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -62.59 1.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.779 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.28 -80.91 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.482 -172.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.727 -1.04 . . . . 0.0 110.674 -171.296 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.15 -26.86 22.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.619 0.723 . . . . 0.0 109.623 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -81.88 86.35 6.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.367 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -69.04 90.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.703 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -68.9 134.98 50.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.65 75.89 0.25 Allowed 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.723 0.639 . . . . 0.0 109.758 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.16 74.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.049 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.451 HG11 ' N ' ' A' ' 649' ' ' SER . 12.6 p -153.39 -31.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.627 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' SER . . . . . 0.451 ' N ' HG11 ' A' ' 648' ' ' VAL . 0.0 OUTLIER -74.56 85.0 2.06 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.151 174.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.85 118.25 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.636 -176.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.97 -15.77 35.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.668 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.03 -35.12 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.308 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.94 136.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.654 0.264 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -132.49 44.0 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . 0.532 ' HB3' HG22 ' A' ' 657' ' ' ILE . 12.1 m95 -74.02 154.12 39.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.848 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.13 56.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.05 0.452 . . . . 0.0 110.541 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 657' ' ' ILE . 0.2 OUTLIER -112.5 -170.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -178.641 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.69 122.74 78.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.129 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.61 -13.53 40.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.011 2.474 . . . . 0.0 112.62 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 124.21 25.32 1.67 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.909 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.41 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.47 68.24 0.73 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.638 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.628 HD22 ' HE2' ' A' ' 77' ' ' TYR . 23.1 mt -103.19 15.45 29.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.926 -178.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' SER . . . . . 0.435 ' HA ' ' HD2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -64.89 -29.83 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.633 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.93 -28.43 62.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.512 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 663' ' ' LEU . 5.0 m-85 -93.14 -10.14 36.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 7.7 mttt -65.73 121.32 14.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.429 ' HB3' ' HE1' ' A' ' 668' ' ' MET . 16.6 ptp -91.3 123.12 34.5 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.198 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.78 114.42 16.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.026 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 11.5 t -83.77 94.99 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 109.674 178.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 106.65 18.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.731 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -85.6 115.28 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.811 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 mp -84.94 122.55 38.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.672 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.618 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 1.2 t70 -73.06 95.32 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 131.43 42.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.171 -175.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -25.11 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.955 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 107.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.671 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 120.62 -45.71 1.2 Allowed Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.622 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -48.27 14.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -93.2 43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.235 0.54 . . . . 0.0 110.0 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 907' ' ' MET . 0.0 OUTLIER -60.3 -34.07 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.285 -177.356 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.07 -32.44 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.865 -177.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 -19.39 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.871 0.367 . . . . 0.0 111.5 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -78.36 7.21 47.95 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.398 -176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -73.61 102.26 1.27 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.046 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -77.19 82.6 1.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.588 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 144.21 -154.04 25.44 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.786 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.25 82.85 2.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.921 0.391 . . . . 0.0 110.387 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -160.65 -66.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.246 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -132.52 -135.89 3.72 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.966 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -135.35 174.36 10.7 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' MET . . . . . 0.451 ' HB3' ' HA ' ' A' ' 681' ' ' SER . 8.9 tpt -84.3 77.27 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.894 0.378 . . . . 0.0 110.554 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -81.55 82.49 1.57 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' SER . . . . . 0.609 ' HA ' HD13 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -61.98 100.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.217 0.532 . . . . 0.0 111.845 -177.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -147.49 -58.56 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.47 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -103.42 -3.47 47.28 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.609 HD13 ' HA ' ' A' ' 909' ' ' SER . 1.6 mt -68.54 174.69 3.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.576 0.227 . . . . 0.0 110.651 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -39.29 9.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -174.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.512 ' NE1' ' HB2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER 56.71 -108.76 0.45 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.729 0.643 . . . . 0.0 110.955 -178.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 1.8 tptt -122.3 130.97 53.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.48 135.47 50.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 -179.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.17 135.92 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -44.76 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -164.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -69.06 -65.01 2.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.552 -175.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -31.73 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.514 0.197 . . . . 0.0 111.16 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.83 44.97 5.29 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.57 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.88 -116.48 1.63 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.861 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.7 OUTLIER -145.98 143.95 29.8 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.271 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.6 HG21 ' HB3' ' A' ' 44' ' ' HIS . 3.5 mt -75.96 106.44 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.27 0.557 . . . . 0.0 110.351 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.24 14.46 10.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -67.9 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.039 179.554 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.645 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -165.91 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.856 173.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.645 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 3.8 m-85 -101.31 148.89 24.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.468 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.81 126.46 41.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.666 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' HA3' ' A' ' 58' ' ' GLY . 0.4 OUTLIER -113.49 135.34 54.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.038 0.447 . . . . 0.0 110.819 -178.489 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -92.12 149.15 21.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.159 176.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.57 -50.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 110.697 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -133.39 -73.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.27 -8.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.232 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.52 167.7 10.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.695 -175.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.58 129.07 47.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.686 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.597 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -125.39 169.06 12.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.389 0.614 . . . . 0.0 111.034 -176.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.7 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -123.79 -171.41 2.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 170.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.496 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -62.18 -37.57 85.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.129 0.422 . . . . 0.0 111.396 -175.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -14.01 58.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.744 -177.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.7 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.83 -52.3 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 1.2 mt -78.58 83.9 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.393 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.49 157.71 45.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.469 179.129 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 51.9 t -62.18 131.19 48.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m -69.23 -11.29 60.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.999 0.428 . . . . 0.0 110.177 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -41.75 5.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.06 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.784 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 64.7 m -84.19 -34.82 23.89 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 9.7 mm100 66.69 13.22 9.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.42 -167.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 53' ' ' CYS . . . -79.25 130.93 35.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.392 176.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.835 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -68.51 95.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.176 -174.611 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 19.5 mt -65.97 -21.08 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.218 0.532 . . . . 0.0 109.965 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' HA3' HD11 ' A' ' 36' ' ' LEU . . . -77.31 -13.1 83.94 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.162 175.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -100.04 -5.63 27.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.387 0.613 . . . . 0.0 110.336 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.08 104.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.36 47.27 2.01 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.173 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 129.43 49.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 113.25 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 112.018 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -178.89 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.694 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.647 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 79.5 m-85 -131.71 154.8 48.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.439 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 5.0 t -139.96 159.49 42.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.738 173.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -161.15 -63.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.027 0.441 . . . . 0.0 110.656 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.23 13.73 3.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.768 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.26 61.93 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.292 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -113.44 145.04 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.611 0.243 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.17 108.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 161.07 30.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.877 0.37 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.4 p -72.47 176.25 5.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.243 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -65.88 -33.49 75.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.566 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -80.06 -45.37 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.682 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -65.06 -36.71 85.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.22 -176.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.628 ' HE2' HD22 ' A' ' 663' ' ' LEU . 28.3 t80 -63.69 -44.35 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.228 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.27 -39.59 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.013 0.435 . . . . 0.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.1 -38.72 89.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.485 177.096 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 1.1 mp -75.85 -52.48 10.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.306 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 64.3 m-85 -126.89 -79.73 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.921 0.391 . . . . 0.0 111.232 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.258 -1.301 . . . . 0.0 111.05 -174.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.662 0.268 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.06 66.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.053 0.454 . . . . 0.0 111.027 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.42 74.87 9.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.982 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.97 85.65 2.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.175 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -140.44 106.21 5.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -137.07 46.46 2.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.406 0.622 . . . . 0.0 109.916 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -68.5 119.1 12.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 135.11 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.338 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.48 127.75 33.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.259 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' PHE . . . . . 0.429 ' HB2' HD12 ' A' ' 653' ' ' ILE . 28.6 m-85 -112.6 164.13 13.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.445 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.72 -37.49 82.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.877 0.37 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.73 -24.41 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.087 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 650' ' ' PHE . 1.3 mt -115.09 74.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.968 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -102.0 90.15 3.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 -176.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -99.71 -163.03 0.99 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.5 89.88 0.97 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 111.025 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.29 162.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.478 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 11.7 t70 -74.09 123.3 89.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.354 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.4 Cg_exo -67.61 -12.28 35.05 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.035 2.49 . . . . 0.0 112.534 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -117.25 33.57 4.95 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.733 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.17 -25.92 67.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.038 0.447 . . . . 0.0 110.827 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' ASP . . . . . 0.414 ' CG ' ' HZ3' ' A' ' 667' ' ' LYS . 15.6 t70 -94.86 117.74 30.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.378 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' LEU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER -80.01 61.19 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.683 -178.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -41.98 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.024 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -17.66 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.477 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' TYR . . . . . 0.748 ' HD2' ' HB3' ' A' ' 663' ' ' LEU . 51.1 m-85 -100.43 -5.18 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.351 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 12.5 mttp -69.57 117.99 11.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.806 -177.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.88 136.69 42.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.632 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.58 138.59 36.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.004 0.43 . . . . 0.0 110.438 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.466 HG11 HD21 ' A' ' 36' ' ' LEU . 2.5 t -103.32 95.0 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 -177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.16 112.02 22.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.843 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' VAL . . . . . 0.532 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -89.34 134.82 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -179.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.42 133.3 59.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.642 0.258 . . . . 0.0 110.761 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.567 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 9.1 t70 -74.8 118.82 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.986 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.82 17.96 8.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.466 ' HB2' ' OD1' ' A' ' 674' ' ' ASP . 1.2 ttmt -75.17 -32.96 61.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.193 -0.317 . . . . 0.0 111.645 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.76 17.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.678 0.752 . . . . 0.0 112.142 -174.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 676' ' ' LYS . . . -115.0 -31.51 2.06 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.031 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -1.57 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.48 -177.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.491 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 4.5 mm100 -78.01 70.94 4.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -22.41 33.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.254 174.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -90.67 -33.22 15.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.595 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 0.1 OUTLIER -72.96 120.31 18.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.043 178.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 113.33 -7.13 24.83 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' GLY . . . . . 0.511 ' HA2' ' HA3' ' A' ' 905' ' ' GLY . . . -135.41 46.08 1.06 Allowed Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -80.15 64.21 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.362 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 155.63 -163.5 31.7 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 1.5 m -87.6 109.6 19.77 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.974 0.387 . . . . 0.0 110.6 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 114.45 47.23 0.59 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.211 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 905' ' ' GLY . . . . . 0.511 ' HA3' ' HA2' ' A' ' 685' ' ' GLY . . . -150.52 30.77 1.04 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.381 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -83.0 78.66 9.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.338 0.59 . . . . 0.0 109.999 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -89.88 -36.03 15.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.878 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 71.72 -178.01 36.68 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.068 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.09 94.18 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.813 0.339 . . . . 0.0 110.385 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -69.88 -35.65 72.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.82 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.95 63.53 4.04 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.934 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.6 mt -75.51 -4.53 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -1.39 56.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.471 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 51.11 -113.92 0.75 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.057 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HB2' HD13 ' A' ' 30' ' ' ILE . 39.7 mmtt -122.29 131.05 53.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 126.43 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.67 154.04 26.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.38 -5.42 20.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.76 -55.8 1.96 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.501 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 p -96.48 -26.09 15.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.934 0.367 . . . . 0.0 110.709 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.57 2.81 58.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.746 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.03 -159.64 23.47 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -99.88 151.64 21.06 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.917 HG22 ' HB3' ' A' ' 44' ' ' HIS . 21.7 mt -67.2 108.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.422 -178.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.29 25.96 8.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 1.2 t0 -90.49 -169.18 2.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.021 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -70.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 4.2 m-85 -102.97 143.57 32.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.968 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 pp -100.5 149.78 23.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 174.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 HD21 HG11 ' A' ' 670' ' ' VAL . 1.1 mp -124.37 162.88 22.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -175.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.92 149.39 31.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.173 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -143.03 -98.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptp -84.1 52.85 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.423 0.63 . . . . 0.0 110.058 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.89 27.85 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.964 178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.36 9.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.658 ' HB3' HD12 ' A' ' 30' ' ' ILE . 6.3 m-85 -88.11 131.99 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.434 ' NE1' ' HB1' ' A' ' 38' ' ' ALA . 17.8 m95 -134.65 165.51 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.26 0.552 . . . . 0.0 111.608 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.917 ' HB3' HG22 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.7 167.94 20.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 172.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -29.69 34.63 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -172.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -41.6 73.64 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -98.37 -31.39 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.514 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -76.69 69.69 3.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.576 0.703 . . . . 0.0 109.955 177.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -145.38 165.5 28.31 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.342 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 51.0 t -60.75 134.27 56.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.915 174.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' OG ' HD13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -80.02 -8.86 59.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 178.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.532 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.39 -46.0 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.326 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -109.47 -13.46 14.57 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.067 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 68.62 22.08 7.7 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.258 174.647 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.68 127.68 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 2.4 mp0 -59.77 97.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.428 0.455 . . . . 0.0 111.34 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -64.8 -23.33 67.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -176.75 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.9 -28.45 66.83 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.583 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -92.1 6.44 46.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.916 -177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.2 mt -120.52 -54.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.27 23.24 22.63 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.185 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 127.32 32.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.337 -0.432 . . . . 0.0 111.317 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.41 96.71 0.08 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.25 165.38 24.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.765 -176.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 81.7 m-85 -123.09 153.77 39.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.149 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -136.21 162.65 32.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG3' ' CE1' ' A' ' 666' ' ' TYR . 15.2 tttp -160.69 -78.48 0.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.59 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 33.73 0.59 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.165 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.77 17.17 80.07 Favored Glycine 0 C--N 1.329 0.189 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.07 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -178.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 HD13 ' OG ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -84.18 115.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.984 177.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 77' ' ' TYR . 2.9 mp -131.63 148.73 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.752 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.678 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 24.1 p -74.61 173.43 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 74' ' ' ARG . 1.9 ttm180 -57.79 -46.23 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.225 -176.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.78 -44.96 60.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.678 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -68.01 -37.65 81.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.869 -172.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' HA ' HD22 ' A' ' 72' ' ' LEU . 33.4 t80 -59.89 -44.0 94.46 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.741 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.23 -36.41 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -67.62 -44.61 77.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -80.24 -62.15 1.77 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.98 -175.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 63.3 m-85 -107.07 -90.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 -173.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.789 -1.006 . . . . 0.0 111.461 -176.527 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.091 0.472 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.49 70.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.647 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -72.45 -26.04 61.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.824 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -97.12 -6.62 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -77.73 149.22 34.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.108 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.71 152.89 38.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.101 174.518 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.3 116.5 31.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.26 94.17 3.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.628 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 3.2 m -88.31 113.42 23.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.144 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 672' ' ' VAL . . . . . 0.572 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -90.67 106.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.091 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.552 ' HB ' ' HG ' ' A' ' 35' ' ' LEU . 1.8 mp -84.95 123.61 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.045 0.45 . . . . 0.0 110.233 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -87.61 138.15 31.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 110.718 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.891 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.417 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.236 0.355 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 42' ' ' TYR . 10.1 mmtt -120.54 124.02 44.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -79.78 130.81 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.48 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.58 147.14 26.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.92 2.4 40.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.82 -55.94 1.27 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.654 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.54 -18.47 21.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.186 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.27 72.24 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.177 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.51 -140.07 11.21 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.843 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 148.49 38.15 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 48.3 mt -76.84 109.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.109 0.481 . . . . 0.0 110.445 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.58 14.36 23.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.389 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.57 175.49 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.449 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' HD1' ' A' ' 34' ' ' PHE . 8.1 tpt85 -76.69 -68.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 110.522 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' HD2' HG12 ' A' ' 672' ' ' VAL . 3.3 m-85 -101.86 123.69 46.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.465 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' HB ' ' A' ' 673' ' ' ILE . 1.3 pp -98.66 147.03 25.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.27 161.08 21.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.546 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.628 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -110.32 140.14 44.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.895 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.61 123.27 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.672 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 69.5 -72.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.969 0.793 . . . . 0.0 110.706 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -166.13 -2.1 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.715 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.17 170.01 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.989 -0.444 . . . . 0.0 111.394 -174.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 21' ' ' LYS . 14.2 m-85 -93.01 135.32 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.174 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 38' ' ' ALA . 3.8 m95 -137.63 179.05 6.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.236 0.541 . . . . 0.0 111.139 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -147.87 -178.32 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -54.81 10.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -77.76 -20.87 52.64 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -170.822 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 19.7 m -96.64 -36.04 10.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.181 0.446 . . . . 0.0 111.274 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.85 87.18 5.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -144.47 176.06 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.805 -178.164 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.9 t -71.91 137.61 47.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.484 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -79.52 -4.74 52.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.191 0.519 . . . . 0.0 110.227 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.25 -37.48 5.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.757 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 96.7 m -90.77 -34.96 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.201 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 66.41 9.53 6.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.554 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.95 122.28 22.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.395 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.615 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 87.3 mt-30 -54.95 102.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.732 0.645 . . . . 0.0 111.156 -176.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.517 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -69.07 -22.88 63.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.285 -177.01 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -10.48 85.71 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.86 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.43 3.34 43.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.479 0.657 . . . . 0.0 110.133 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.01 -46.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.782 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.2 22.0 31.06 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.616 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.13 127.31 32.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.322 . . . . 0.0 111.302 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.42 88.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.988 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.52 171.39 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.578 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' HE1' ' HG3' ' A' ' 74' ' ' ARG . 89.3 m-85 -131.31 170.75 14.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.009 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 t -146.02 179.61 7.36 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.932 0.396 . . . . 0.0 110.652 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -166.19 -63.89 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.8 36.65 2.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.231 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.02 -24.62 8.75 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.062 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.82 138.51 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.558 0.218 . . . . 0.0 110.65 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.41 108.97 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.987 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -118.87 149.61 41.26 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -178.105 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 29.9 p -65.01 170.07 4.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG3' ' HE1' ' A' ' 65' ' ' TYR . 7.8 ttp180 -49.69 -49.48 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.689 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -78.91 -33.78 45.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.215 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.858 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -67.2 -38.61 85.63 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.5 -43.64 89.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.849 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.476 ' H ' HG13 ' A' ' 78' ' ' ILE . 2.3 mt -68.12 -35.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.627 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -36.59 60.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.853 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -83.12 -61.02 1.97 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.981 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.13 -91.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.357 -1.246 . . . . 0.0 111.356 -175.351 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -43.66 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.335 0.588 . . . . 0.0 110.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.75 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.227 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -81.51 -3.41 53.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.312 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.47 146.83 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.208 0.528 . . . . 0.0 111.348 -176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -137.28 125.41 23.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.964 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.31 145.4 27.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.042 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.8 t -92.02 106.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.333 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.649 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -88.72 109.06 19.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.066 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.06 118.66 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.261 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.546 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -89.4 125.99 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.302 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.05 118.48 30.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.572 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.923 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -110.29 145.88 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.889 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 139.05 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.46 155.7 16.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.838 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.27 -2.68 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.92 -47.58 2.44 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.966 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 p -99.26 -46.85 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.84 6.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.015 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.02 -146.64 20.63 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.222 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -92.91 145.27 24.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.684 HD12 ' HB3' ' A' ' 21' ' ' LYS . 95.7 mt -76.28 108.52 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.788 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.85 15.03 29.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.438 0.637 . . . . 0.0 110.23 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.5 175.06 11.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.32 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -65.0 1.06 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.546 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -101.94 126.25 48.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.282 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.12 148.62 22.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.369 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.44 145.21 51.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.976 0.417 . . . . 0.0 111.384 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.649 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -91.78 131.35 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.403 173.54 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -119.55 -84.18 0.66 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.073 0.463 . . . . 0.0 110.671 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtt -85.41 -47.48 9.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.894 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 41' ' ' SER . 6.3 p-10 -178.59 -15.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 -173.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -103.37 171.01 7.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.687 -177.527 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -91.36 131.52 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 5.1 m95 -130.67 174.82 9.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.335 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.431 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -137.4 170.67 15.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.659 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -38.09 17.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -171.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -35.46 63.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -174.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 58.7 m -97.22 -32.45 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.535 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -75.13 73.34 2.27 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 109.876 178.388 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 1.5 mtmt -143.86 178.6 7.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.928 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 19.5 t -68.83 139.72 55.22 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.122 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -11.47 59.67 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.107 0.48 . . . . 0.0 110.11 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -52.54 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.716 -176.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.51 -12.96 13.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.043 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.35 31.03 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.449 175.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' LYS . . . -67.01 148.17 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.743 ' HB3' ' HB2' ' A' ' 59' ' ' ASP . 6.0 mm100 -63.7 88.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.121 0.263 . . . . 0.0 111.357 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 2.0 mp -72.56 -22.33 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.21 0.43 78.4 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -101.98 12.74 36.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.307 0.575 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.21 139.63 32.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.994 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.86 28.72 4.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.337 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.23 130.17 46.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.618 0.247 . . . . 0.0 110.632 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 137.03 56.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.488 . . . . 0.0 111.516 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -176.54 3.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.808 177.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.622 ' HE2' ' HB3' ' A' ' 74' ' ' ARG . 54.6 m-85 -129.85 162.44 28.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 110.655 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -148.77 174.51 12.12 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.363 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HE1' ' A' ' 77' ' ' TYR . 15.8 tttp -158.2 -67.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.479 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.45 38.67 0.98 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.351 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.33 29.03 73.89 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.934 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.0 136.07 53.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.469 0.176 . . . . 0.0 110.838 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.468 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -78.96 108.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.451 176.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.77 150.63 51.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.115 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 22.9 p -73.28 164.62 26.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.08 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.622 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.52 -38.04 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.515 -178.715 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -72.03 -44.15 63.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.142 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.668 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.5 OUTLIER -73.48 -37.23 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.62 -174.122 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 67' ' ' LYS . 22.7 t80 -57.84 -47.19 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.645 0.26 . . . . 0.0 110.97 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.87 -29.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.132 0.492 . . . . 0.0 110.847 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -74.94 -32.31 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.854 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.87 -50.27 6.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -114.18 -95.33 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.064 0.459 . . . . 0.0 110.947 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.038 -175.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.492 0.663 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.7 -21.7 60.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.951 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.62 -18.77 43.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.164 0.507 . . . . 0.0 110.18 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.448 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 50.0 m-85 -90.35 -5.18 56.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.193 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.84 154.77 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.016 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 147.22 42.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.276 175.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -76.51 111.39 11.94 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.254 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t -87.06 96.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.081 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.2 m -87.64 103.36 15.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.974 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.47 116.1 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.58 128.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 10.0 t70 -71.22 100.46 2.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.911 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.739 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.8 m0 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -142.78 134.66 26.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.822 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 129.54 34.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.028 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.546 ' HB3' HG13 ' A' ' 30' ' ' ILE . 29.3 p -101.95 154.82 18.6 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.273 0.558 . . . . 0.0 111.716 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.87 -45.98 19.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.824 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -63.87 4.2 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.368 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.07 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.488 . . . . 0.0 110.27 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 23.84 27.38 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.69 -138.78 4.74 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -116.08 139.85 49.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 21' ' ' LYS . 25.9 mt -66.63 107.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.184 0.516 . . . . 0.0 110.507 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.41 16.04 25.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.16 -171.89 2.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.78 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -88.85 -70.72 0.63 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.234 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -100.23 126.39 46.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.945 0.402 . . . . 0.0 111.397 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.38 149.43 24.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.444 176.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 149.44 49.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -91.62 138.78 31.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.526 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.94 121.89 6.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.125 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER 72.68 -64.23 0.4 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.067 0.854 . . . . 0.0 111.293 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -165.34 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.547 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.7 170.56 8.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.007 0.432 . . . . 0.0 111.724 -171.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.13 127.15 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.484 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.685 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -128.38 171.57 11.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.256 0.551 . . . . 0.0 110.901 177.385 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.732 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.0 p80 -131.31 -172.42 2.84 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -45.59 69.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -7.08 55.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.732 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.42 -57.83 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 43' ' ' TRP . 16.5 tp -75.2 93.21 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.707 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.755 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -144.78 166.64 24.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.07 177.289 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 t -66.92 127.97 34.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.817 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 0.92 26.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.506 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -102.34 -51.66 3.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.79 -177.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -110.59 -6.32 14.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.385 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.99 15.78 4.5 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.556 0.535 . . . . 0.0 111.83 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -64.6 122.53 17.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.755 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 11.4 mm-40 -61.63 120.67 11.05 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.45 0.469 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.83 14.04 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.248 0.547 . . . . 0.0 110.915 -174.451 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.45 -49.52 4.13 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.817 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.66 70.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.776 0.322 . . . . 0.0 111.145 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.41 ' HB ' ' H ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -124.91 -102.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.428 . . . . 0.0 111.682 -178.321 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 157.8 -51.55 0.41 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.83 132.2 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 154.13 41.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.268 0.556 . . . . 0.0 112.25 -175.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.81 160.71 27.25 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.546 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -127.13 159.53 33.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.239 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -144.73 158.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 111.012 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -164.51 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.795 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.72 18.76 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.252 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.25 23.87 77.04 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.22 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.7 mtm -130.91 147.59 52.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.82 113.21 21.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 5.0 mp -122.64 144.62 49.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.144 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 16.9 p -73.96 164.6 26.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.039 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -50.59 -45.13 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.647 178.382 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.05 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.13 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.523 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -80.32 -47.54 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.815 -175.396 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -59.48 -50.57 73.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.556 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.6 -33.92 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.076 0.465 . . . . 0.0 111.026 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 79' ' ' ARG . 14.4 ttm105 -73.84 -45.99 47.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.3 -51.58 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.89 -100.52 0.43 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -175.563 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -69.78 -27.76 65.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.545 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.8 -25.2 63.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.48 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -100.1 -0.89 38.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.419 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.654 ' HD3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -74.49 132.57 42.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.139 -175.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.508 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 2.0 mtm -102.1 85.38 2.66 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.257 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.57 118.69 16.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.089 0.471 . . . . 0.0 110.735 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.1 t -84.62 124.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.688 -173.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 138.91 35.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.79 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.62 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 2.2 mp -107.76 123.27 63.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.49 123.23 28.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.531 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.189 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.559 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 2.1 m0 . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -122.74 123.19 40.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.985 177.079 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.55 128.24 34.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.333 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 p -93.91 154.75 17.53 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.685 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 -44.25 10.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -170.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -69.82 1.28 Allowed Glycine 0 C--N 1.328 0.129 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.831 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -46.27 90.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 0.0 110.363 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.36 36.14 5.24 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.72 -117.55 2.25 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.97 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -140.44 137.61 34.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.779 0.323 . . . . 0.0 110.308 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.983 HG23 ' HB3' ' A' ' 44' ' ' HIS . 5.7 mt -72.17 108.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.383 0.611 . . . . 0.0 110.691 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.44 21.34 17.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.096 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.531 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -87.8 5.54 39.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.066 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.6 -63.7 0.42 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.707 0.629 . . . . 0.0 110.462 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.17 127.97 47.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -97.29 159.46 14.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.92 134.98 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.822 -176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -100.59 103.39 14.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 177.139 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -107.4 -110.37 0.3 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 39' ' ' MET . 0.7 OUTLIER -78.69 65.33 3.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.253 . . . . 0.0 111.537 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 74.59 -16.98 0.5 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.57 171.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.35 170.61 8.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -91.42 130.66 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.573 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 11.1 m95 -132.21 168.87 17.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.251 0.548 . . . . 0.0 111.208 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.983 ' HB3' HG23 ' A' ' 30' ' ' ILE . 2.4 p-80 -135.56 -169.73 2.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 174.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.679 ' HB3' ' HG3' ' A' ' 56' ' ' GLN . 53.7 m -70.15 -17.6 63.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.167 0.439 . . . . 0.0 111.676 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.8 mtm-85 -100.25 -7.63 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.688 0.28 . . . . 0.0 111.034 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' HB3' ' HE3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -100.78 -55.6 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.845 0.355 . . . . 0.0 110.049 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -76.23 77.76 3.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.982 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -144.56 161.08 40.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.139 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.7 t -65.89 132.42 48.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.709 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 m -70.16 -9.45 55.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.185 0.517 . . . . 0.0 110.498 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 -47.16 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.05 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 94.5 m -80.42 -35.62 34.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.517 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 63.04 26.5 15.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.65 154.88 17.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.922 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 45' ' ' SER . 3.9 mp0 -65.05 97.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 111.212 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.8 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -77.75 -20.3 53.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.419 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.64 -17.18 71.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.155 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.07 38.27 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 111.52 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.09 143.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.318 . . . . 0.0 110.77 176.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.64 94.93 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.787 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 118.28 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.654 ' HB2' ' HD3' ' A' ' 667' ' ' LYS . 1.2 m -73.05 161.54 30.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.042 0.449 . . . . 0.0 111.394 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.33 169.08 18.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 98.0 m-85 -129.71 156.86 43.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.175 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 t -143.13 168.98 18.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -166.66 -60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.34 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.41 20.64 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.441 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 24.04 66.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.78 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 25.3 mtm -115.99 151.54 35.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.37 109.04 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.948 0.404 . . . . 0.0 110.311 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -131.5 156.0 46.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.931 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -72.01 170.97 12.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -62.42 -25.43 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.761 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -82.28 -47.8 11.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.485 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -65.61 -42.5 91.5 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.467 -175.167 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.7 -47.79 84.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.805 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.603 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 64.3 mt -69.29 -37.73 76.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.479 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 79' ' ' ARG . 3.5 ttp-105 -64.14 -41.93 97.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.567 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -63.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.82 -64.09 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.603 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -1.151 . . . . 0.0 111.842 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.849 0.356 . . . . 0.0 111.336 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -53.32 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.109 0.48 . . . . 0.0 110.738 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' GLN . . . . . 0.412 ' H ' ' HG2' ' A' ' 665' ' ' GLN . 4.5 mm-40 -71.81 -15.37 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.81 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 3.3 m-30 -86.97 -14.25 42.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -73.22 123.74 24.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.552 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 12.5 ptp -87.04 106.0 17.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.25 111.93 3.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.238 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.14 94.82 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.314 0.578 . . . . 0.0 110.761 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -92.02 113.58 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.327 178.277 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 672' ' ' VAL . . . . . 0.453 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -87.68 137.71 20.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.947 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mp -110.26 132.64 58.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 7.5 t70 -70.14 93.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 675' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 2.1 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.116 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -118.93 154.96 32.15 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.479 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -125.49 119.03 27.11 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 -172.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 4.8 p -88.87 154.88 19.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.29 7.13 45.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -104.47 -81.86 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.659 -175.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 15.7 p -82.17 -105.11 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.584 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -79.79 -16.23 77.7 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.135 -171.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 23' ' ' CYS . . . 77.76 12.34 84.55 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.827 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -142.16 102.48 4.12 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' LYS . 63.0 mt -76.35 107.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.454 0.645 . . . . 0.0 110.998 -175.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.08 18.79 21.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.854 171.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -83.08 -177.9 6.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.257 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.673 ' O ' ' HA ' ' A' ' 675' ' ' THR . 0.0 OUTLIER -82.25 -72.21 0.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -101.78 153.2 20.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.828 -174.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.947 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 10.9 mt -100.17 157.59 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.085 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 48' ' ' LEU . 12.1 mt -137.3 135.14 36.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.704 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.6 OUTLIER -97.51 142.32 29.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.581 174.651 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -127.24 -77.73 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.083 0.468 . . . . 0.0 110.276 176.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -100.38 -47.96 4.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.31 -22.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.269 -175.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.9 164.47 13.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 111.37 -172.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 13.8 m-85 -83.48 127.3 33.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.545 173.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.482 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 12.7 m95 -128.01 -178.88 4.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.242 0.544 . . . . 0.0 110.399 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.7 p80 -145.75 178.21 8.33 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -31.37 67.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.82 -18.63 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -100.22 -40.66 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.238 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.07 65.54 5.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.635 0.731 . . . . 0.0 110.563 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 164.1 20.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.064 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 43.5 t -62.1 139.87 58.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.784 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.51 -8.0 59.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.559 176.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.41 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -113.99 -51.84 2.76 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.782 -176.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.32 -22.61 19.62 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 67.43 30.85 6.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.277 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.44 141.35 28.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -73.64 82.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.935 0.398 . . . . 0.0 110.445 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD21 ' SG ' ' A' ' 73' ' ' CYS . 98.1 mt -65.08 -19.55 66.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.408 -176.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.497 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -83.16 -20.38 60.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -17.32 19.03 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.838 0.828 . . . . 0.0 110.293 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -101.86 143.63 14.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 114.448 -1.251 . . . . 0.0 108.819 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 56.96 1.63 Allowed Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.494 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 137.58 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.791 0.329 . . . . 0.0 111.562 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.43 79.27 5.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 158.14 36.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.228 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.92 164.38 15.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.552 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 3.3 t -152.78 168.55 25.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.183 0.516 . . . . 0.0 111.282 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.596 ' HD3' ' HB3' ' A' ' 81' ' ' PHE . 1.9 tttp -140.16 -67.04 0.44 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.425 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.92 25.07 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.107 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.38 15.31 76.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mtt -89.95 133.68 34.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -85.76 113.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 80' ' ' LEU . 1.6 mp -142.39 158.58 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.266 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.0 m -85.36 -170.26 3.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.084 0.469 . . . . 0.0 110.848 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 74' ' ' ARG . 5.2 mmt180 -65.93 -56.21 12.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.11 -172.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -43.49 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 111.509 -172.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.94 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.229 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 24.6 t80 -66.91 -43.02 84.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.535 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 663' ' ' LEU . 27.1 mm -61.9 -40.19 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.33 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -46.97 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.844 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -73.66 -57.49 3.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.946 -175.571 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.596 ' HB3' ' HD3' ' A' ' 67' ' ' LYS . 96.9 m-85 -107.87 -62.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 0.0 111.703 -175.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.421 -174.15 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -60.76 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.193 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -80.99 -11.55 59.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.836 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.95 -35.29 59.76 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.127 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -69.65 133.73 47.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.894 177.566 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.57 121.82 34.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.242 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.99 105.41 5.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.547 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 26.4 t -82.57 107.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.379 0.609 . . . . 0.0 110.147 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -90.64 106.82 18.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.987 178.643 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 14.9 t -87.21 115.89 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.501 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 mp -84.75 112.58 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.128 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.91 76.25 7.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.754 177.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.702 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m0 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.6 OUTLIER -133.16 142.52 48.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.91 179.45 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.91 134.38 37.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.29 153.98 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.485 0.66 . . . . 0.0 111.646 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.85 -3.49 26.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.09 -55.41 1.2 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.528 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -101.27 -28.16 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.216 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.59 -12.52 59.67 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.382 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.44 -157.05 20.72 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.782 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -100.0 136.35 40.04 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 5.7 mt -71.69 108.9 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.115 0.483 . . . . 0.0 110.091 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . . . -122.08 15.13 10.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.6 -91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.038 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -176.93 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.7 131.57 45.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -94.86 141.91 28.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.691 178.496 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.857 HD13 ' HA3' ' A' ' 58' ' ' GLY . 28.7 mt -123.24 151.02 42.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.983 0.42 . . . . 0.0 111.105 -176.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -119.05 105.81 11.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.194 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 1.029 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -78.66 -44.37 23.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.0 110.887 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtm -148.18 -64.47 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.28 -177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -146.11 -7.97 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.178 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.66 170.04 9.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.669 0.271 . . . . 0.0 111.024 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -98.99 132.43 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -135.83 176.8 8.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.786 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -139.12 179.62 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.458 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -40.22 64.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -171.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -12.71 44.29 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.49 -36.12 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.495 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.029 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.78 73.69 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.385 0.612 . . . . 0.0 110.937 -178.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 1.4 mtmt -132.2 165.57 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.999 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 50.8 t -59.4 136.92 58.12 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 173.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 m -77.35 0.04 23.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 0.0 110.388 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 -36.85 3.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.959 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 99.5 m -95.88 -31.19 13.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 111.621 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 63.71 24.19 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.114 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.96 134.76 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.332 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -65.83 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 111.324 -175.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 56.2 mt -69.05 -21.18 64.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.661 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.857 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -87.28 -3.75 81.68 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.537 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -100.3 2.9 43.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.106 0.955 . . . . 0.0 109.814 177.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.48 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 4.5 mt -132.23 145.9 33.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.521 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.66 57.99 2.1 Favored Glycine 0 C--N 1.319 -0.416 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.525 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -98.05 115.64 28.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.002 0.43 . . . . 0.0 111.436 -174.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -75.02 81.42 2.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.692 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 667' ' ' LYS . 0.5 OUTLIER -70.32 144.15 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.011 -178.438 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -112.39 146.04 39.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 t -134.11 166.35 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.049 0.452 . . . . 0.0 110.813 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -63.67 0.47 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.254 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.86 42.45 1.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.305 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 28.22 73.5 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.667 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.74 131.84 55.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.62 107.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.025 0.441 . . . . 0.0 110.585 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 1.2 mt -129.9 157.24 42.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.8 p -74.38 177.11 6.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.544 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -59.75 -42.12 92.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.586 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -35.75 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.877 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -70.03 -37.13 75.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.615 -175.153 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -57.03 -45.84 82.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.32 -40.64 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 0.0 110.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -32.13 71.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -62.6 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.063 0.458 . . . . 0.0 110.906 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -112.9 -82.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.492 -1.171 . . . . 0.0 111.385 -176.349 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -35.04 79.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 0.0 111.495 -177.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -11.12 59.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.079 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -101.1 3.13 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.88 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.49 129.14 36.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 111.218 -176.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.436 ' HG3' ' H ' ' A' ' 668' ' ' MET . 0.8 OUTLIER -102.31 141.35 35.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.594 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -99.45 113.66 26.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.56 95.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.079 0.466 . . . . 0.0 111.052 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -91.68 130.31 37.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.324 177.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.59 121.38 65.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 37' ' ' TYR . 2.9 mp -115.44 140.38 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.763 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.36 155.22 34.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.697 0.284 . . . . 0.0 111.271 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.467 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.3 m-90 . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.786 0.327 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 1.4 mmtt -134.44 152.3 51.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.02 145.41 26.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 110.359 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.572 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 23.3 m -59.1 155.28 14.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.777 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.72 -17.02 9.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.024 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.1 -60.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.777 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.04 -66.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.004 0.402 . . . . 0.0 110.642 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' ' CB ' ' A' ' 23' ' ' CYS . . . 123.95 34.58 0.72 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.572 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -140.32 -131.23 2.73 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.045 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -112.92 134.29 54.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.767 0.318 . . . . 0.0 110.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 44' ' ' HIS . 45.8 mt -74.49 109.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.199 0.523 . . . . 0.0 110.272 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.35 21.08 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.85 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 7.0 m-20 -85.4 -178.36 6.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.442 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -46.45 6.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.831 0.348 . . . . 0.0 110.358 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -101.59 135.82 42.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.247 0.546 . . . . 0.0 111.726 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -93.8 140.8 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.484 177.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.37 134.72 54.84 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.008 0.432 . . . . 0.0 111.572 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.601 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 1.3 m-85 -99.92 117.15 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -103.92 -32.21 9.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.787 0.327 . . . . 0.0 111.423 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.0 ptp -163.29 -34.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.279 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -29.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.18 165.62 15.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -175.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' HB3' HD23 ' A' ' 35' ' ' LEU . 16.2 m-85 -94.85 117.4 30.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.2 m95 -120.52 176.55 5.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 0.0 110.431 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.784 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -133.79 -173.97 3.39 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 167.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.174 0.443 . . . . 0.0 111.282 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -30.52 29.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.114 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.784 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -79.17 -53.78 6.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.894 0.378 . . . . 0.0 110.306 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -76.06 85.88 2.95 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.808 -176.001 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 164.96 27.93 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.61 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.87 135.28 52.25 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.098 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -78.03 -8.96 58.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.647 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.59 -52.5 3.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.95 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.35 -10.08 17.21 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.415 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 27.37 16.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.186 176.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.64 34.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -73.66 67.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 109.878 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 64' ' ' SER . 4.3 tp -66.73 -23.05 66.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.191 -170.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HB3' ' A' ' 48' ' ' LEU . . . -78.56 -21.21 69.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.668 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 13.11 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.333 0.587 . . . . 0.0 110.635 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.98 141.37 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.787 177.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.26 64.3 2.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.114 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.74 153.5 17.84 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.473 0.309 . . . . 0.0 110.931 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -82.82 66.84 8.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.043 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.39 151.01 44.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.651 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 663' ' ' LEU . 53.5 m-85 -123.34 149.47 44.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.15 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.28 138.24 52.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.263 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.56 133.33 10.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.637 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m 57.17 36.58 27.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.395 0.617 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.4 19.04 74.05 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.792 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.4 mtm -111.38 150.93 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.822 0.311 . . . . 0.0 110.448 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.4 113.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 7.2 mp -124.36 149.46 46.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 20.4 p -72.39 166.49 22.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.029 176.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -49.93 -54.34 20.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.488 -170.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -78.25 -25.77 46.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.583 -175.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.692 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 2.3 m-20 -77.66 -26.19 50.18 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.521 -175.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HE2' HD11 ' A' ' 663' ' ' LEU . 15.3 t80 -59.59 -46.35 89.2 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.52 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 78' ' ' ILE . 0.8 OUTLIER -68.17 -27.19 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 178.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -64.88 -44.15 90.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.325 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 72' ' ' LEU . 3.0 mp -84.15 -58.38 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.065 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 99.0 m-85 -106.39 -98.1 0.35 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -175.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.792 -175.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 666' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -32.35 73.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.151 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -86.3 -10.36 54.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.156 0.503 . . . . 0.0 110.063 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 663' ' ' LEU . 15.3 m-85 -90.89 -5.66 55.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.564 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 147.65 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.408 ' HE3' HG23 ' A' ' 71' ' ' ILE . 24.0 ptp -100.4 150.34 22.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.15 107.56 19.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.433 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 10.3 t -84.9 94.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 2.9 m -96.63 125.16 40.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.567 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.84 130.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.0 0.428 . . . . 0.0 110.099 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -91.42 131.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.76 129.38 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.231 -176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.321 -0.648 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.208 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 29' ' ' LYS . 2.0 m0 . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.868 0.366 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -135.74 132.76 37.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.001 177.386 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 61.9 mtm-85 -96.93 129.75 44.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.04 157.35 21.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.211 0.529 . . . . 0.0 111.932 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.75 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -88.28 -92.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.98 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.25 -46.78 35.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 111.033 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.08 52.33 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 22' ' ' ARG . . . -107.83 -155.65 18.97 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.743 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CE3' ' A' ' 20' ' ' TRP . 13.3 mtpt -92.22 124.61 36.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 21' ' ' LYS . 61.6 mt -69.15 107.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.372 0.605 . . . . 0.0 109.491 177.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.91 20.19 15.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.268 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.48 8.22 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.428 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 73.15 -65.54 0.35 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.903 0.881 . . . . 0.0 111.328 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -100.26 124.61 45.92 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.83 0.347 . . . . 0.0 110.365 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.5 153.35 19.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.407 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.81 165.62 13.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -114.41 149.82 35.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.294 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -140.3 -87.89 0.19 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.143 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -79.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 110.045 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -148.16 9.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.404 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 170.58 8.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.503 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -97.66 136.14 38.45 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -130.31 -179.37 5.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.653 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.6 p80 -150.44 -171.46 3.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.76 -35.13 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -175.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -82.45 -19.95 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.373 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.75 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -100.75 -45.64 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.07 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.94 72.85 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.54 0.686 . . . . 0.0 111.354 -173.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 56' ' ' GLN . 14.4 mttt -136.23 158.69 43.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.576 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 36.1 t -58.81 134.82 57.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.797 175.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -2.69 42.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.143 0.497 . . . . 0.0 110.435 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.574 ' HB2' ' OD2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -103.95 -50.7 3.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.6 -178.087 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p -115.15 -4.85 12.43 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.577 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.6 40.43 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.574 178.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 139.74 32.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.869 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -69.23 118.82 12.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.955 0.407 . . . . 0.0 111.023 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 64' ' ' SER . 5.0 mt -106.04 -7.51 18.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.46 -33.71 5.28 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.804 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -99.48 0.35 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.498 0.666 . . . . 0.0 111.097 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.6 141.39 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.734 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.76 65.53 1.13 Allowed Glycine 0 C--N 1.321 -0.254 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.571 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.661 ' HB ' HD23 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -98.56 131.52 44.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 178.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.481 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -66.0 111.39 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.657 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -113.36 133.98 54.87 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.99 172.06 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.386 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t -143.15 179.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 68' ' ' SER . 14.2 tttp -171.59 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.84 46.01 1.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.24 179.647 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.44 5.08 62.42 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.267 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 32.0 ttm -95.46 146.59 24.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 110.767 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' HE3' ' A' ' 668' ' ' MET . 2.9 mp -97.94 110.93 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -125.99 149.7 48.61 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.91 -176.13 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -82.03 179.55 7.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -57.83 -53.1 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.37 -177.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -36.92 75.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.631 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 4.1 m-20 -77.12 -36.91 55.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.739 -173.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.0 t80 -55.88 -51.87 66.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.063 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.65 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 1.6 mt -71.85 -26.03 25.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.925 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -71.57 -41.12 69.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.68 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -60.02 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.22 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.29 -55.32 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.864 0.364 . . . . 0.0 111.212 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.42 HD22 ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -39.65 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.616 -174.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -87.39 -9.51 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.507 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -87.03 -11.89 49.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -83.35 122.15 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.421 . . . . 0.0 110.646 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.57 ' SD ' ' HA ' ' A' ' 39' ' ' MET . 1.5 mtt -85.71 90.69 8.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 669' ' ' ASP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 63' ' ' SER . 0.3 OUTLIER -62.24 123.31 17.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.408 -176.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.889 HG11 HD23 ' A' ' 36' ' ' LEU . 98.3 t -82.78 115.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.991 -169.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -88.29 128.19 35.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.697 173.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 672' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 34' ' ' PHE . 7.6 p -99.6 131.44 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.161 0.505 . . . . 0.0 110.428 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 3.5 mp -89.78 122.55 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.73 111.43 6.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.765 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.809 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.442 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -109.98 137.75 47.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.198 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.23 137.98 40.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 130.57 44.5 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 -50.01 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -168.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -59.03 -58.47 14.4 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.795 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -71.57 -48.32 49.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.007 0.432 . . . . 0.0 110.014 175.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.76 29.76 3.01 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.852 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.59 -126.56 3.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.699 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 141.16 36.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' HB3' ' A' ' 44' ' ' HIS . 7.2 mt -73.35 108.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.255 0.55 . . . . 0.0 111.412 -174.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.3 19.43 14.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.523 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.2 -84.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.859 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -176.26 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' HD2' HG22 ' A' ' 672' ' ' VAL . 3.0 m-85 -98.38 132.44 43.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.073 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.55 144.95 28.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.424 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 HG11 ' A' ' 670' ' ' VAL . 5.8 mp -109.83 150.5 28.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.417 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -111.51 115.38 29.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.587 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -113.35 -100.01 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.649 0.261 . . . . 0.0 110.639 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.57 ' HA ' ' SD ' ' A' ' 668' ' ' MET . 1.7 ttm -58.44 -63.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 41' ' ' SER . 1.5 p-10 -171.82 -4.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.614 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.429 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -101.82 171.4 7.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.206 -177.393 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.31 132.49 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.108 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 5.2 m95 -125.91 153.99 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.44 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.75 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -109.4 -176.21 2.96 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 171.744 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.615 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 1.1 m -48.35 -46.31 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.667 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -93.13 -1.12 56.72 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -85.93 -52.14 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.847 -0.533 . . . . 0.0 110.257 178.727 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -73.44 89.21 1.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.201 178.757 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -134.31 144.54 48.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.692 177.464 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.84 133.46 56.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.793 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -76.78 -1.5 28.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -51.68 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 p -112.23 3.47 17.17 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.275 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.37 25.41 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.626 177.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -61.59 120.32 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.128 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -76.52 87.11 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -75.25 -13.11 60.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.685 -178.234 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.513 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . -62.12 -55.97 24.92 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.029 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 3.0 p-10 -84.76 14.02 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.281 -0.541 . . . . 0.0 111.446 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.63 -45.83 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 110.329 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.05 26.23 Favored Glycine 0 C--N 1.317 -0.518 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.212 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.53 123.88 26.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.861 ' HA ' HG23 ' A' ' 670' ' ' VAL . 22.9 m -68.96 109.23 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.022 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 160.95 28.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.888 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.642 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 42.9 m-85 -104.06 159.44 15.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -152.98 173.63 15.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.063 0.459 . . . . 0.0 111.585 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.83 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.086 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.6 43.18 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.082 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.38 -4.99 57.53 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.334 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.4 mtm -84.41 128.49 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.633 -0.334 . . . . 0.0 110.717 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.498 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.3 111.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.876 0.37 . . . . 0.0 110.035 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.554 HD12 ' HD1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.27 158.42 37.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 -177.077 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -73.11 175.78 6.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.532 . . . . 0.0 111.281 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.642 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -62.04 -31.71 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.539 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -83.15 -41.59 18.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.648 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.691 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -77.06 -38.24 52.99 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.635 -171.1 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' HD1' HD12 ' A' ' 72' ' ' LEU . 54.2 t80 -57.29 -42.94 82.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.303 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.96 -28.63 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 0.0 110.343 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -75.56 -36.77 60.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -81.07 -60.24 2.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.457 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -107.26 -101.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.683 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.695 -1.058 . . . . 0.0 111.69 -179.277 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 77' ' ' TYR . 54.7 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 42.1 m -70.36 -12.54 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 111.006 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.05 -23.16 55.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.048 0.451 . . . . 0.0 110.22 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' THR . 26.0 m-85 -102.35 10.64 38.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.223 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.473 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 12.0 mttt -86.39 151.26 23.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.157 -172.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.416 ' CE ' ' HG3' ' A' ' 39' ' ' MET . 0.0 OUTLIER -136.79 118.75 15.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.702 171.716 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.2 148.31 24.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.306 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 88.9 t -83.83 108.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.593 -172.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 127.56 35.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 172.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.79 139.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 35' ' ' LEU . 3.2 mp -112.51 132.93 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.125 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 5.9 t70 -84.17 86.38 7.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.95 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 m0 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -114.89 125.45 53.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 142.68 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.314 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.72 144.64 34.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.84 -52.91 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -64.13 -64.26 3.77 Favored Glycine 0 CA--C 1.516 0.108 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.784 -173.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -45.9 92.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.9 1.9 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.293 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.32 -113.53 1.22 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.71 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.24 144.82 26.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 35' ' ' LEU . 3.3 mt -63.93 108.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.52 0.676 . . . . 0.0 110.744 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.88 18.98 13.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 4.3 m-20 -75.97 -71.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 10.5 ttt85 177.92 -65.38 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.648 169.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.3 m-30 -96.09 137.47 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.765 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.08 146.06 25.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.264 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' HA2' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -120.66 170.47 9.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -178.397 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.3 OUTLIER -120.93 149.44 42.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 -177.395 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -140.59 -89.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.668 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.416 ' HG3' ' CE ' ' A' ' 668' ' ' MET . 0.0 OUTLIER -74.85 -80.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.482 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.36 3.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.32 169.59 9.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -96.93 126.97 42.45 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.538 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 16.0 m95 -121.65 179.18 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.034 0.445 . . . . 0.0 111.073 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.3 p80 -151.5 -175.55 5.24 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.38 67.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -4.11 54.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.75 -58.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.796 -179.349 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD11 ' HB2' ' A' ' 38' ' ' ALA . 3.7 mt -73.1 86.38 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 110.766 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -143.1 142.91 31.64 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.465 175.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 26.9 t -54.05 132.32 42.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.596 0.56 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.29 -14.88 61.87 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.244 -177.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.07 -52.09 3.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.43 -1.92 16.84 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.992 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 2.2 mt-30 59.74 37.99 21.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.6 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -67.83 124.17 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.97 79.84 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.256 0.551 . . . . 0.0 111.439 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -9.7 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.777 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . -71.09 -25.99 74.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.536 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.5 -35.46 9.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.079 0.942 . . . . 0.0 109.926 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.05 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.14 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.413 ' HA2' HG21 ' A' ' 670' ' ' VAL . . . -73.71 66.28 1.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.815 -171.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.39 148.47 24.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.11 110.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 0.0 111.275 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -177.92 5.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.885 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' ' HG3' ' A' ' 667' ' ' LYS . 90.5 m-85 -127.71 147.59 50.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.076 0.465 . . . . 0.0 111.541 -176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.505 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 1.2 t -135.69 173.6 11.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 176.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -163.27 -56.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.607 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -119.96 50.1 1.32 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.25 29.17 66.8 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.633 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.08 129.42 43.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -98.28 111.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.49 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 71' ' ' ILE . 1.3 mm? -121.51 163.51 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -75.62 -178.08 3.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -62.56 -39.04 92.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.846 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -46.32 17.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.23 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.585 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 1.5 m-20 -72.64 -23.14 60.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.866 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 663' ' ' LEU . 21.5 t80 -62.09 -43.14 99.47 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.203 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.463 ' H ' HG13 ' A' ' 78' ' ' ILE . 1.3 mt -71.33 -32.35 46.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -71.61 -36.69 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.671 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -80.94 -53.94 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -125.74 -76.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.105 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.411 -174.668 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.406 HD22 ' HE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -59.43 -33.68 71.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.67 -177.073 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -8.79 57.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.53 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.04 -23.54 17.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.629 -176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.689 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -77.71 123.13 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 0.0 110.289 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 64' ' ' SER . 0.2 OUTLIER -80.74 144.6 32.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -177.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.0 105.31 12.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.402 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 4.2 t -85.32 95.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -90.41 110.33 21.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.788 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.62 122.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' LEU . 2.8 mp -90.37 129.65 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -81.28 110.41 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.126 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.441 0 CA-C-O 121.134 0.492 . . . . 0.0 112.262 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m95 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.81 0.814 . . . . 0.0 112.774 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.56 134.75 54.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.674 170.418 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 127.79 35.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.776 -171.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HG13 ' A' ' 30' ' ' ILE . 49.2 m -73.13 154.96 40.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.177 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.49 -6.84 3.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.139 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.05 -42.18 0.86 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.307 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 2.6 p -102.85 -99.66 0.29 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 117.258 0.529 . . . . 0.0 111.878 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.601 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -92.79 -73.61 1.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.472 -174.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.557 ' CA ' ' HB2' ' A' ' 23' ' ' CYS . . . 171.98 -29.52 0.11 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.371 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -117.12 114.53 23.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.57 -0.37 . . . . 0.0 110.536 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.677 HG13 ' SG ' ' A' ' 23' ' ' CYS . 19.1 mt -71.38 108.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.185 0.517 . . . . 0.0 109.84 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.21 18.54 20.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.227 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.94 -179.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD3' ' HD1' ' A' ' 34' ' ' PHE . 1.7 tmt_? -89.76 -63.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.505 ' HD1' ' HD3' ' A' ' 33' ' ' ARG . 1.2 m-85 -100.57 130.8 46.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.84 150.19 23.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.12 -179.537 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.06 155.77 36.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.941 0.401 . . . . 0.0 110.815 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.0 OUTLIER -106.79 149.36 27.44 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.555 -179.646 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.01 -96.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 55.62 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.27 -177.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.18 22.5 7.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.205 0.602 . . . . 0.0 112.206 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -132.13 171.15 14.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.23 130.62 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 48' ' ' LEU . 1.9 m95 -131.8 171.3 13.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.453 0.644 . . . . 0.0 111.376 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.751 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -140.32 -162.97 1.43 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 171.079 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 1.5 m -58.8 -47.76 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.966 0.348 . . . . 0.0 111.78 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -10.98 59.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.751 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.19 -52.05 3.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.759 0.314 . . . . 0.0 110.728 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.89 77.69 9.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.11 0.481 . . . . 0.0 110.28 179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 154.35 44.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.578 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 49.8 t -60.16 127.21 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.446 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.36 -6.09 56.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.105 0.479 . . . . 0.0 110.206 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.615 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.59 -51.65 3.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.9 -176.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -113.04 -3.65 13.98 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.287 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 3.1 mm-40 64.97 41.96 4.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.333 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.578 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -86.81 123.04 31.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.777 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' SER . 15.2 mt-30 -65.34 94.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.075 0.464 . . . . 0.0 110.564 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 64' ' ' SER . 19.2 mt -79.94 -21.13 44.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.684 -177.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.17 -1.17 56.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.93 3.65 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.856 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.36 137.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.037 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.27 48.82 2.87 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.593 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 151.17 21.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.692 0.282 . . . . 0.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 103.49 2.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.4 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.657 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -79.7 153.41 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.736 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 89.6 m-85 -115.39 158.94 21.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -150.15 171.12 17.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -167.71 -67.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.115 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.04 34.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.243 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.39 2.74 80.7 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.173 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 35.3 mtm -101.74 151.77 21.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -91.35 123.57 43.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.394 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.615 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 4.0 mp -130.86 143.53 50.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.813 0.339 . . . . 0.0 110.786 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.782 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.3 p -73.36 170.24 15.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.342 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.565 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 29.0 mtp-105 -58.71 -45.54 89.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.37 -43.04 82.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.782 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.62 -45.13 69.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.114 -172.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 663' ' ' LEU . 26.0 t80 -58.16 -45.17 87.9 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.407 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.3 mt -74.43 -31.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -73.92 -25.25 59.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.822 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -95.23 -62.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.293 -179.267 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -107.39 -87.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.001 -174.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.816 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.075 -175.169 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.585 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.4 mp . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.986 0.422 . . . . 0.0 110.089 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.98 88.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.134 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -77.88 -24.51 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.73 0.3 . . . . 0.0 111.504 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.585 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 29.3 m-85 -92.3 -3.75 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -65.54 123.29 19.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.109 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.16 85.46 3.47 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.22 113.77 6.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.271 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 17.0 t -84.43 115.74 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.491 -174.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.36 118.66 28.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 672' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -94.79 120.7 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.581 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.28 128.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.281 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 26.6 t70 -73.59 111.9 9.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.775 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.908 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.487 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 1.9 m0 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.503 0.192 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.49 45.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 110.457 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 1.7 tpt180 -69.9 128.92 38.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.32 153.85 20.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 110.808 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.15 -61.56 1.69 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.33 -73.37 0.54 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.551 -0.357 . . . . 0.0 113.184 -172.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.01 64.1 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.84 39.84 4.25 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.036 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.475 ' O ' ' HD2' ' A' ' 22' ' ' ARG . . . -130.22 -113.3 1.59 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.999 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -145.86 142.28 28.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.904 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.2 mt -74.04 108.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 11.51 14.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.371 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 4.6 m-20 -66.54 -86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.195 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.83 -73.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -92.01 146.7 23.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.96 136.13 40.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.997 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.48 135.01 51.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.639 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -99.07 113.38 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.743 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.608 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -108.78 -106.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 172.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.8 ptp -84.56 56.17 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.278 0.561 . . . . 0.0 110.484 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.28 -10.26 0.93 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.909 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' HG ' ' HZ2' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -84.89 169.25 14.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.204 -0.31 . . . . 0.0 110.304 178.384 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -98.38 119.19 36.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 6.5 m95 -121.24 156.18 33.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.301 0.572 . . . . 0.0 111.41 -177.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.904 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -123.5 -171.75 2.37 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -34.99 78.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.368 0.531 . . . . 0.0 111.355 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 111.319 -179.168 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.76 -51.83 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 0.0 111.085 -178.202 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -77.39 71.02 3.85 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.219 -176.746 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.875 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.49 166.15 26.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.932 176.509 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.6 t -65.46 127.7 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -78.3 -2.33 37.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.228 0.537 . . . . 0.0 110.329 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.84 -30.78 9.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.813 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 93.8 m -103.49 -23.28 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 57.49 30.3 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.429 0.633 . . . . 0.0 110.163 -172.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.05 37.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.864 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -52.41 118.82 3.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.876 0.735 . . . . 0.0 111.431 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 1.1 mp -102.15 -21.24 14.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 -14.15 56.67 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.178 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -99.51 20.51 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.22 145.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.034 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.03 -13.19 83.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.626 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 122.84 19.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.284 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.12 128.08 34.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.105 -175.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.03 163.16 28.14 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.334 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.705 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 64.9 m-85 -127.1 161.32 28.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -175.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 t -152.83 171.11 18.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.573 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HD2' ' OH ' ' A' ' 77' ' ' TYR . 10.2 tttp -163.19 -70.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.3 51.37 1.09 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.294 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.74 28.01 72.77 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.023 175.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 mtm -122.01 129.67 52.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.375 0.588 . . . . 0.0 111.287 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.8 107.99 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' ' HB3' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -126.89 161.01 29.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.865 -177.267 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.8 p -82.39 -177.45 6.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.705 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 2.0 tmm_? -65.11 -38.2 89.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.756 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.45 -40.85 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -66.05 -42.88 88.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.839 -173.705 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.467 ' OH ' ' HD2' ' A' ' 67' ' ' LYS . 46.1 t80 -62.68 -46.19 89.32 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.952 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.21 -31.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.344 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -46.88 29.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -69.77 -57.18 5.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.093 -175.315 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 80' ' ' LEU . 99.2 m-85 -114.14 -107.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 0.0 111.322 -176.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.435 0 CA-C-O 117.889 -1.506 . . . . 0.0 110.716 -174.486 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.76 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.7 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -27.4 68.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.403 -177.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -38.8 27.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.259 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.76 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.0 m-85 -73.33 -13.9 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.541 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.76 124.1 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.445 0.64 . . . . 0.0 112.41 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.3 ttp -109.75 111.56 23.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.796 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 146.36 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.53 110.86 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -89.17 117.9 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.008 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.54 132.53 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.632 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -98.12 118.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -81.07 88.06 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.646 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.838 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 1.6 m0 . . . . . 0 N--CA 1.466 0.33 0 CA-C-O 120.632 0.254 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 3.9 tptt -139.92 143.3 36.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.202 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 136.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.626 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 7.9 m -61.1 154.34 23.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.892 177.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.82 -27.21 8.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.366 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.53 -46.41 1.42 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.191 -0.528 . . . . 0.0 113.317 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HB2' ' H ' ' A' ' 27' ' ' GLY . 2.6 m -75.64 -90.58 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.211 0.505 . . . . 0.0 110.747 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.49 ' H ' ' HB2' ' A' ' 26' ' ' CYS . . . 150.96 64.36 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.642 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.626 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -177.99 -132.85 1.77 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -119.58 142.22 48.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.997 0.427 . . . . 0.0 110.153 174.154 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -67.73 109.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.28 28.8 4.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.059 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 3.3 m-20 -95.91 -178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.526 177.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -100.09 -53.26 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.75 123.42 44.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.683 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -100.55 150.95 22.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 178.396 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -115.65 144.24 44.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -93.84 146.92 23.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.803 172.809 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.46 -100.4 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.22 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttm -86.4 55.84 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.016 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.59 -9.24 1.22 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.357 0.663 . . . . 0.0 112.706 172.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 170.16 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.661 0.267 . . . . 0.0 110.689 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -93.41 118.95 31.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -120.9 160.89 22.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.753 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -122.88 -167.07 1.53 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 168.767 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.569 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -62.51 -28.09 69.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.716 0.293 . . . . 0.0 111.502 -178.126 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -22.56 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.753 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -86.78 -52.87 5.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.155 0.503 . . . . 0.0 109.8 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.14 87.0 5.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.218 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.96 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.33 174.76 10.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.012 176.182 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.62 132.82 42.07 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.427 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.35 -3.84 48.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 -50.65 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.866 -175.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.62 -8.5 13.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.591 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 66.07 26.23 10.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.635 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.52 150.65 48.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.362 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.23 105.99 1.23 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.258 0.551 . . . . 0.0 111.551 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.96 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 3.8 mp -102.54 -8.8 20.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.044 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -92.88 -57.86 1.37 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.529 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.41 -0.02 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.41 0.624 . . . . 0.0 111.247 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mm -126.52 136.15 61.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.184 -0.917 . . . . 0.0 108.982 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.76 3.42 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.671 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.88 115.68 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 114.5 5.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.61 167.37 12.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.897 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.781 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 78.1 m-85 -131.21 149.19 52.68 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 t -123.53 175.33 6.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.025 0.441 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -166.83 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 31.95 5.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.756 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.16 27.27 70.46 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 136.95 49.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.89 113.99 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.639 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' HD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -134.88 153.37 52.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.962 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -76.21 173.32 11.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.781 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -61.44 -34.52 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.926 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -82.58 -33.12 28.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.066 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.683 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -82.19 -37.94 25.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.922 -174.104 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HD1' HD13 ' A' ' 72' ' ' LEU . 60.3 t80 -55.06 -41.66 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt -67.9 -35.6 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 111.2 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -38.8 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -66.74 -58.34 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.2 -177.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.7 -67.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.907 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.168 -1.351 . . . . 0.0 110.98 -173.623 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 13.4 mt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.773 ' HA ' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -52.8 -53.89 41.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.619 -174.428 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.84 -10.07 59.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.634 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 89.5 m-85 -92.78 -22.23 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.86 -173.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.773 ' HE3' ' HA ' ' A' ' 664' ' ' SER . 0.1 OUTLIER -86.26 128.77 34.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.165 0.507 . . . . 0.0 110.735 -179.048 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 17.2 ptp -95.19 140.28 30.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.021 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -84.1 117.13 23.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 13.4 t -84.48 94.59 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.971 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.83 103.19 15.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.31 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.21 124.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.29 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.587 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -84.89 124.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 0.0 110.53 -176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 7.1 t70 -78.1 98.58 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.75 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.89 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m-90 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.466 0.65 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 2.9 mmtm -133.59 124.8 27.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.355 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.24 115.63 30.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.967 0.413 . . . . 0.0 110.996 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 156.54 37.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.38 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.38 -7.55 59.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.87 -86.93 1.24 Allowed Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.004 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 10.6 p -70.18 -31.93 69.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.674 0.273 . . . . 0.0 110.77 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.68 90.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.659 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.91 -91.77 0.43 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.582 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -166.72 145.44 5.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.448 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 44' ' ' HIS . 80.9 mt -74.16 108.82 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.437 0.637 . . . . 0.0 110.925 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.54 19.25 20.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.676 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -89.39 175.25 7.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.885 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.9 -54.36 4.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.6 m-85 -100.98 132.11 46.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 673' ' ' ILE . 0.3 OUTLIER -100.4 147.94 25.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 173.333 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.616 HD13 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -126.99 156.33 41.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.965 0.412 . . . . 0.0 111.399 -172.232 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.7 OUTLIER -103.31 150.2 23.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.639 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' ' 668' ' ' MET . . . -132.43 -79.6 0.5 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.277 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -98.5 -67.19 0.86 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.348 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -149.47 -1.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.424 . . . . 0.0 110.86 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.55 166.56 10.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.578 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.96 124.8 50.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.495 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -119.91 174.8 6.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.404 0.621 . . . . 0.0 111.413 -173.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.632 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -127.84 -179.03 4.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.391 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -62.38 -24.09 67.18 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -11.33 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.632 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -100.57 -53.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.715 0.293 . . . . 0.0 111.144 -178.632 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.48 83.91 4.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 110.735 -178.216 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 168.41 19.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.582 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 28.0 t -65.76 132.33 48.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.364 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -79.53 -6.31 56.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.036 0.446 . . . . 0.0 110.485 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -103.83 -51.72 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.974 -178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.6 p -112.21 -0.64 15.46 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.525 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 12.9 mm100 66.19 30.09 9.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.355 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -67.86 123.64 21.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.38 75.77 0.55 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 64' ' ' SER . 11.4 mt -64.81 -21.14 66.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.9 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -80.81 -18.62 69.78 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.376 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -101.09 10.21 41.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.668 0.747 . . . . 0.0 110.637 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 3.3 mt -135.47 150.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.526 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.07 49.47 1.83 Allowed Glycine 0 C--N 1.317 -0.484 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.957 173.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -93.61 132.86 37.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.846 0.355 . . . . 0.0 111.47 -175.384 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.89 85.62 3.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.038 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -70.54 141.81 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 666' ' ' TYR . 79.0 m-85 -114.08 160.2 19.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.685 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -152.1 157.08 41.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.1 0.476 . . . . 0.0 111.259 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -71.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.738 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.52 18.96 0.39 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.603 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.07 76.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.199 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.1 mtm -102.12 139.1 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.615 -0.344 . . . . 0.0 110.302 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.99 123.71 37.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.7 mp -134.61 148.95 50.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.492 0.187 . . . . 0.0 110.538 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 25.9 p -72.81 168.8 18.1 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.99 0.424 . . . . 0.0 110.513 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -61.5 -36.41 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.786 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -41.08 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.745 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.608 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -70.75 -48.71 53.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.193 -175.11 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 26.5 t80 -58.99 -47.59 84.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.582 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -40.57 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -69.96 -42.83 72.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.021 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -76.56 -62.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.823 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 34.7 m-85 -101.42 -71.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.827 -173.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.907 0 CA-C-O 118.977 -0.902 . . . . 0.0 111.666 -173.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 77' ' ' TYR . 7.5 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.378 0.609 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.55 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -60.11 -27.08 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.839 -178.655 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -83.09 -19.11 37.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -90.74 -20.71 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.11 0.481 . . . . 0.0 110.138 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -78.5 141.17 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.23 178.714 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.584 ' SD ' ' HG3' ' A' ' 39' ' ' MET . 1.2 mtm -89.7 124.41 34.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.24 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 111.24 6.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.408 . . . . 0.0 109.928 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 5.0 t -83.53 107.54 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.426 -170.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.3 m -89.94 112.76 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.406 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.53 113.35 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.651 0.262 . . . . 0.0 110.392 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 35' ' ' LEU . 3.0 mp -84.81 125.62 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.397 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -92.03 117.8 30.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.735 0.779 . . . . 0.0 110.325 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.79 -174.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 120.925 0.393 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 6.4 mmtm -108.48 95.16 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.4 134.1 45.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.902 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.733 ' HB3' HG13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -89.89 154.18 20.06 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -175.006 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.54 -59.32 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -167.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.15 -65.04 3.32 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.193 -171.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -38.36 89.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.11 20.1 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.563 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.87 -146.73 9.13 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 1.4 mppt? -113.1 133.0 55.22 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.733 HG13 ' HB3' ' A' ' 23' ' ' CYS . 8.0 mt -68.16 105.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.3 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.05 11.97 27.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.588 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -176.72 6.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.004 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -63.73 1.27 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.683 0.278 . . . . 0.0 111.103 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.7 m-85 -97.34 125.27 41.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 111.308 -173.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.678 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.71 144.07 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.988 176.716 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -109.45 141.08 42.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.15 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -103.79 102.56 12.39 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.729 173.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -101.68 -96.83 0.28 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.584 ' HG3' ' SD ' ' A' ' 668' ' ' MET . 8.6 mtt -64.68 -50.01 68.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.629 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 172.75 -14.61 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.694 0.759 . . . . 0.0 109.158 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.93 171.09 11.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.369 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -92.82 116.2 28.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.528 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 10.3 m95 -113.29 173.01 6.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.271 0.558 . . . . 0.0 110.746 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.3 p80 -135.98 -175.78 4.09 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.649 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -55.52 -45.38 77.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.744 0.247 . . . . 0.0 111.582 -178.182 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.753 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -81.67 -6.62 59.19 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -175.211 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.98 -47.09 7.77 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.858 -0.526 . . . . 0.0 110.328 177.323 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 38' ' ' ALA . 4.5 mt -76.46 73.87 3.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.925 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 151.9 45.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.124 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.1 t -61.1 135.89 57.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -0.55 30.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.159 0.504 . . . . 0.0 110.506 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.9 -34.04 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 85.5 m -92.45 -35.4 13.67 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.71 0.29 . . . . 0.0 110.745 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 19.67 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.161 -169.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.26 130.24 35.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.804 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.753 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.81 108.98 10.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -176.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.41 -1.3 57.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.25 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -61.67 -25.16 65.12 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.948 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -99.95 12.42 36.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.353 0.597 . . . . 0.0 110.864 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -117.11 140.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.207 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.94 13.83 35.38 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.944 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.73 124.94 42.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.723 0.297 . . . . 0.0 110.236 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HG3' ' A' ' 667' ' ' LYS . 1.1 m -79.96 130.32 35.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.451 . . . . 0.0 111.171 -175.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.24 172.56 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 177.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.773 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 77.4 m-85 -115.04 157.52 23.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 159.37 42.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' H ' ' A' ' 68' ' ' SER . 2.7 tttm -159.55 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.775 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -81.38 60.28 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.588 -177.289 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.47 28.46 71.23 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.234 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.7 mtm -139.06 139.43 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.706 0.253 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.74 112.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.448 . . . . 0.0 109.814 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.56 155.91 27.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.634 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.863 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -68.94 176.31 3.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.812 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.773 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -59.88 -48.02 83.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.815 -178.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.15 -39.8 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.863 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.55 -42.57 74.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.857 -175.025 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.681 ' HE2' HD22 ' A' ' 663' ' ' LEU . 32.3 t80 -58.47 -46.19 87.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.701 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 32.7 mt -65.46 -37.27 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.024 0.44 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.099 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.97 -56.43 3.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.428 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -118.1 -71.19 0.75 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -175.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.649 -1.084 . . . . 0.0 111.743 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 78' ' ' ILE . 2.5 mt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.911 ' HA ' ' HG3' ' A' ' 667' ' ' LYS . 70.1 m -66.77 -21.71 66.05 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.234 -0.291 . . . . 0.0 111.441 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -23.06 56.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -100.86 10.02 41.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.725 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.911 ' HG3' ' HA ' ' A' ' 664' ' ' SER . 0.9 OUTLIER -72.8 136.08 45.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.39 0.614 . . . . 0.0 111.433 -176.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.409 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 26.4 ttp -117.59 120.05 36.88 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.258 172.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.83 126.59 39.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.231 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -84.27 118.14 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.693 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 140.52 29.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.71 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.61 119.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.679 0.276 . . . . 0.0 110.966 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.662 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.79 127.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.58 110.72 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.844 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.525 ' CH2' ' HE2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 9.0 mmtt -121.28 140.64 51.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.512 . . . . 0.0 111.803 -173.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.71 138.61 31.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' HB3' HG13 ' A' ' 30' ' ' ILE . 8.3 p -91.77 154.8 18.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.092 0.472 . . . . 0.0 112.257 -171.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.523 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -68.91 -71.24 1.0 Allowed Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.399 -0.429 . . . . 0.0 113.476 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.09 -42.84 69.8 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 110.725 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.99 40.11 7.2 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.831 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.89 -78.23 0.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.816 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -176.35 143.32 0.5 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 44' ' ' HIS . 14.4 mt -73.02 109.11 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.113 0.482 . . . . 0.0 110.476 178.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 35.16 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.665 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.594 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -90.89 -111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.388 176.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -155.8 -67.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.229 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -96.05 145.3 25.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.576 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 5.8 mp -93.43 139.11 31.06 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 -177.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -107.95 123.01 48.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.08 109.03 20.27 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.705 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -132.35 131.54 42.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.0 mtm 67.95 -61.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 124.106 0.878 . . . . 0.0 111.311 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -171.14 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.567 0.347 . . . . 0.0 110.601 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.63 169.82 8.4 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.794 0.33 . . . . 0.0 111.385 -171.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' HB2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -99.68 117.1 33.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.586 177.76 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m95 -113.84 172.91 6.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.149 0.5 . . . . 0.0 110.935 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.8 p80 -131.94 -173.75 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -53.64 -46.26 70.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.047 0.385 . . . . 0.0 112.028 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.53 -6.89 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.926 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -99.85 -49.18 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.197 177.347 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -77.8 69.29 4.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.317 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -143.39 157.47 44.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.805 177.112 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 26.6 p -72.28 145.97 47.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.884 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -9.65 59.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -176.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.16 -47.47 6.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 -9.24 14.68 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.615 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER 64.83 40.27 5.61 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.56 -176.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 57' ' ' LEU . . . -77.35 106.43 9.1 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 1.1 mm100 -62.12 90.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 110.865 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' ' 73' ' ' CYS . 4.0 mt -68.67 -16.56 63.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 -11.54 66.1 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.242 175.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.19 -6.55 27.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.311 1.053 . . . . 0.0 109.625 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 57' ' ' LEU . 21.8 mt -106.32 109.21 27.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.616 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.55 -4.34 84.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.346 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.71 157.24 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' HD2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -59.75 117.04 4.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.46 -176.744 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.73 172.99 7.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.74 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -126.45 158.3 36.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.634 0.254 . . . . 0.0 110.767 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -152.59 170.92 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.354 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HE2' ' OH ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -161.2 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -83.03 34.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.955 -175.805 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.2 71.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.525 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.04 143.06 46.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.695 0.283 . . . . 0.0 110.328 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 0.6 OUTLIER -102.01 108.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.624 178.677 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.759 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.7 OUTLIER -123.43 156.72 34.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.666 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.773 ' HA ' HD21 ' A' ' 57' ' ' LEU . 28.3 p -75.3 174.6 9.31 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.02 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -57.75 -38.24 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -29.85 31.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.714 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.759 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.44 -51.6 28.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -174.568 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' OH ' ' HE2' ' A' ' 67' ' ' LYS . 46.2 t80 -55.57 -43.9 76.34 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.45 0.469 . . . . 0.0 111.16 -175.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 663' ' ' LEU . 12.5 mm -62.02 -39.64 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.822 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 79' ' ' ARG . 9.5 ttp85 -76.42 -40.39 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.112 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.446 HD23 ' CE1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -72.11 -56.31 5.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -178.148 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 80' ' ' LEU . 73.6 m-85 -119.75 -80.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.022 0.439 . . . . 0.0 110.485 -177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 CA-C-O 118.615 -1.103 . . . . 0.0 111.109 -176.1 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.667 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 3.6 mp . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.149 0.5 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -35.66 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.959 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -83.9 -9.57 58.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.307 0.575 . . . . 0.0 110.473 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.667 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.1 m-30 -93.32 -17.43 23.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 145.34 37.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 111.767 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.451 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 19.8 ptp -103.41 152.82 21.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.75 117.49 29.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.424 HG11 ' HA2' ' A' ' 58' ' ' GLY . 3.3 t -83.74 95.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.357 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -97.18 144.26 27.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.55 129.37 75.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.11 122.99 38.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.134 0.492 . . . . 0.0 110.287 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.28 77.93 4.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.966 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -138.56 138.51 38.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.291 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.11 130.15 44.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB3' HG13 ' A' ' 30' ' ' ILE . 19.7 p -82.34 154.77 25.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.123 0.487 . . . . 0.0 111.545 -175.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.75 -21.93 24.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.67 -169.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -79.73 1.02 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.19 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 111.334 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 44.1 1.94 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.059 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 174.01 21.58 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -71.63 126.63 30.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.36 0.58 . . . . 0.0 109.531 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' LYS . 4.9 mt -65.75 108.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.213 0.53 . . . . 0.0 110.884 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.11 15.08 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.69 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 155.96 27.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.753 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 3.3 ttp180 -72.99 -55.34 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.306 -177.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.753 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 4.5 m-85 -100.86 121.89 42.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.969 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 151.5 19.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.641 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.94 163.04 18.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.984 0.421 . . . . 0.0 111.457 -175.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -117.21 148.98 41.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.625 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -137.18 -74.64 0.42 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 mtm -91.15 -76.77 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.326 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -151.02 -0.02 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.015 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.3 168.04 12.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.404 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -103.39 123.02 46.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.5 m95 -118.65 -179.89 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 0.0 111.179 -174.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.8 p80 -145.93 -171.48 3.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.717 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -50.19 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -77.49 -11.73 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.727 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -102.18 -43.03 5.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.038 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -76.85 71.44 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.466 0.65 . . . . 0.0 110.522 -176.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.2 164.46 30.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.654 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 48.8 t -60.62 131.78 51.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.479 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -78.7 -7.16 57.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.142 0.496 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.492 ' HB3' ' CG ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -98.37 -51.76 3.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.668 -176.109 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.46 -4.67 13.55 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.681 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 6.2 mm100 66.91 37.54 3.94 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.422 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -91.64 133.89 35.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.75 126.44 29.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.0 110.994 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 64' ' ' SER . 2.9 mt -105.57 1.24 27.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.064 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' HG11 ' A' ' 670' ' ' VAL . . . -92.1 -52.96 2.12 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.604 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.5 8.15 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.44 0.638 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.88 143.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.897 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.65 39.87 1.32 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.142 -0.552 . . . . 0.0 113.612 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.22 126.28 47.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.767 0.284 . . . . 0.0 110.661 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 119.79 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.711 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.73 135.43 38.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.403 . . . . 0.0 110.653 179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.846 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 72.9 m-85 -112.62 152.57 28.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.14 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -142.81 178.24 7.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 0.0 111.158 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 7.1 tttp -164.73 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.248 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.02 39.39 1.8 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.637 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.92 -25.1 3.61 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 116.02 -0.537 . . . . 0.0 113.265 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttm -68.31 137.57 54.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.14 122.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.908 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.6 mp -133.7 156.66 47.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.722 0.296 . . . . 0.0 110.924 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.0 p -76.95 176.35 8.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.147 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.846 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 6.7 ttt85 -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -45.37 22.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -69.37 -39.98 77.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.496 -175.664 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -62.84 -42.77 99.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.361 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.6 -33.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.503 . . . . 0.0 110.284 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 ttm105 -69.87 -39.56 76.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.418 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -83.53 -60.45 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.82 -176.425 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.419 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 30.4 m-85 -119.99 -92.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.881 0.372 . . . . 0.0 110.938 -175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.704 -1.053 . . . . 0.0 111.623 -177.303 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.507 HD11 HG12 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.045 0.45 . . . . 0.0 110.339 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.4 ' HA ' ' CD ' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -67.82 -34.74 77.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 -174.236 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -23.84 67.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.166 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.15 8.42 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.702 -175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 664' ' ' SER . 1.0 OUTLIER -81.28 123.9 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.756 0.313 . . . . 0.0 110.741 179.297 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 668' ' ' MET . . . . . 0.448 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 10.1 ptp -90.82 153.33 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.545 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -99.58 113.15 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.976 0.417 . . . . 0.0 110.653 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.2 t -84.76 94.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 671' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -89.87 110.45 21.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 177.788 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.82 122.03 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.65 HD13 HD12 ' A' ' 35' ' ' LEU . 3.6 mp -96.36 123.12 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 4.9 m-20 -79.67 102.25 8.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.042 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.556 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -119.93 136.54 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.374 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.8 tpt180 -92.27 144.95 24.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.7 t -90.98 154.66 19.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.85 16.29 15.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.218 0.532 . . . . 0.0 110.51 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.0 -54.95 0.52 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.275 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 p -94.91 -95.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.506 0.653 . . . . 0.0 110.802 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.39 77.3 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.14 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.1 -152.16 23.71 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.272 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -100.42 157.56 16.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.563 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 35' ' ' LEU . 13.3 mt -73.49 109.4 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.78 10.69 28.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -82.45 11.4 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.486 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER 72.43 -68.52 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.092 -176.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.9 m-85 -93.66 126.55 38.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.155 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.09 147.64 25.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.169 179.326 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.9 164.27 20.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.618 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -116.85 150.0 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.108 178.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -136.51 -86.82 0.33 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.136 176.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -83.34 -79.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.24 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -137.68 -7.33 1.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.44 170.26 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.687 -169.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.407 ' HB3' HD11 ' A' ' 30' ' ' ILE . 28.9 m-85 -89.64 137.3 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.844 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.58 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 22.0 m95 -134.27 179.5 6.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.015 0.436 . . . . 0.0 110.684 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -145.66 174.26 11.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.535 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -49.3 21.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.59 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -172.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 49' ' ' LYS . 1.2 m -101.6 -32.79 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -75.67 68.08 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.628 0.727 . . . . 0.0 109.844 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -131.56 162.76 29.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.209 -177.312 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 40.7 t -63.19 132.11 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.219 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -75.06 -9.37 58.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.126 0.488 . . . . 0.0 110.453 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 -51.3 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.06 0.25 14.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.453 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 66.75 20.94 10.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.214 177.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.02 117.1 7.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.44 0.162 . . . . 0.0 110.568 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 58.8 mt-30 -75.12 86.11 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -74.85 -22.57 58.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.237 -176.495 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.45 -14.06 71.58 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.683 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -98.25 8.67 44.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.489 0.661 . . . . 0.0 110.216 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 57' ' ' LEU . 14.9 mt -117.18 -58.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.356 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 -19.84 11.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.143 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.87 143.48 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.49 118.44 8.14 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.455 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.584 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -81.69 179.7 7.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.972 172.548 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' HE1' ' HB3' ' A' ' 74' ' ' ARG . 92.3 m-85 -124.84 166.48 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.71 0.29 . . . . 0.0 110.754 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 t -158.05 175.09 14.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -167.3 -65.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.806 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.26 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.95 -24.29 2.87 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.257 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtm -78.2 141.14 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.633 -0.333 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' HE1' ' A' ' 668' ' ' MET . 0.5 OUTLIER -89.79 123.63 42.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 177.026 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 76' ' ' ASP . 4.6 mp -130.23 149.06 52.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.75 0.309 . . . . 0.0 110.557 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.7 p -71.39 170.56 12.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.585 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.593 ' HB3' ' HE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.26 -29.81 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.76 -45.56 24.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.724 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.603 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -74.55 -38.19 62.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.077 -172.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.69 -43.58 90.05 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.145 -176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.507 HG12 HD11 ' A' ' 663' ' ' LEU . 13.3 mt -70.76 -32.26 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.161 0.505 . . . . 0.0 110.695 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -72.66 -38.19 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.454 178.42 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -81.71 -62.59 1.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.779 -177.078 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.28 -80.91 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.482 -172.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.727 -1.04 . . . . 0.0 110.674 -171.296 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.635 HD22 ' HE2' ' A' ' 77' ' ' TYR . 23.1 mt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' SER . . . . . 0.471 ' HA ' ' HD2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -64.89 -29.83 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.633 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.93 -28.43 62.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.512 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 663' ' ' LEU . 5.0 m-85 -93.14 -10.14 36.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 7.7 mttt -65.73 121.32 14.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 16.6 ptp -91.3 123.12 34.5 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.198 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.78 114.42 16.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.026 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 670' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 11.5 t -83.77 94.99 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 109.674 178.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 106.65 18.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.731 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 672' ' ' VAL . . . . . 0.592 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -85.6 115.28 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.811 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 673' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mp -84.94 122.55 38.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.672 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.628 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 1.2 t70 -73.06 95.32 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.171 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.562 ' HZ3' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.973 0.416 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -122.3 130.97 53.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 135.47 50.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.17 135.92 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -44.76 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -164.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -69.06 -65.01 2.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.552 -175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -31.73 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.514 0.197 . . . . 0.0 111.16 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.83 44.97 5.29 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.57 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.88 -116.48 1.63 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.861 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.7 OUTLIER -145.98 143.95 29.8 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.271 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.5 mt -75.96 106.44 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.27 0.557 . . . . 0.0 110.351 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' HZ3' ' A' ' 20' ' ' TRP . . . -122.24 14.46 10.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.418 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.9 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.039 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -165.91 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.856 173.656 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 3.8 m-85 -101.31 148.89 24.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.468 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 4.0 mp -95.81 126.46 41.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.666 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 672' ' ' VAL . 0.4 OUTLIER -113.49 135.34 54.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.038 0.447 . . . . 0.0 110.819 -178.489 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -92.12 149.15 21.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.159 176.139 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -135.57 -50.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 110.697 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -133.39 -73.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.27 -8.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.232 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.52 167.7 10.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.695 -175.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.58 129.07 47.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.686 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -125.39 169.06 12.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.389 0.614 . . . . 0.0 111.034 -176.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -123.79 -171.41 2.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 170.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.512 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -62.18 -37.57 85.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.129 0.422 . . . . 0.0 111.396 -175.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -14.01 58.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.744 -177.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.83 -52.3 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.689 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 1.2 mt -78.58 83.9 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.393 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.49 157.71 45.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.469 179.129 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 51.9 t -62.18 131.19 48.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m -69.23 -11.29 60.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.999 0.428 . . . . 0.0 110.177 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -41.75 5.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.06 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 64.7 m -84.19 -34.82 23.89 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 56.1 mm-40 66.69 13.22 9.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.42 -167.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.93 35.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.392 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.847 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -68.51 95.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.176 -174.611 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 19.5 mt -65.97 -21.08 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.218 0.532 . . . . 0.0 109.965 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -77.31 -13.1 83.94 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.162 175.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -100.04 -5.63 27.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.387 0.613 . . . . 0.0 110.336 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.08 104.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.36 47.27 2.01 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.173 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 129.43 49.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 113.25 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 112.018 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -178.89 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.694 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 79.5 m-85 -131.71 154.8 48.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.439 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 5.0 t -139.96 159.49 42.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.738 173.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -161.15 -63.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.027 0.441 . . . . 0.0 110.656 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.23 13.73 3.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.768 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.26 61.93 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.292 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -113.44 145.04 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.611 0.243 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.17 108.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 161.07 30.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.877 0.37 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.4 p -72.47 176.25 5.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.243 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.66 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -65.88 -33.49 75.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.566 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -80.06 -45.37 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.676 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -65.06 -36.71 85.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.22 -176.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.635 ' HE2' HD22 ' A' ' 663' ' ' LEU . 28.3 t80 -63.69 -44.35 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.228 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.27 -39.59 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.013 0.435 . . . . 0.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.1 -38.72 89.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.485 177.096 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 1.1 mp -75.85 -52.48 10.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.306 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 64.3 m-85 -126.89 -79.73 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.921 0.391 . . . . 0.0 111.232 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.258 -1.301 . . . . 0.0 111.05 -174.84 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 663' ' ' LEU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.683 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -41.98 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.024 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -17.66 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.477 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 666' ' ' TYR . . . . . 0.748 ' HD2' ' HB3' ' A' ' 663' ' ' LEU . 51.1 m-85 -100.43 -5.18 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.351 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 12.5 mttp -69.57 117.99 11.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.806 -177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.88 136.69 42.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.632 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.58 138.59 36.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.004 0.43 . . . . 0.0 110.438 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.32 95.0 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.16 112.02 22.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.843 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 672' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -89.34 134.82 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.42 133.3 59.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.642 0.258 . . . . 0.0 110.761 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 9.1 t70 -74.8 118.82 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.986 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 675' ' ' THR . . . . . 0.443 HG23 HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HG3' HD22 ' A' ' 35' ' ' LEU . 39.7 mmtt -122.29 131.05 53.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 126.43 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.67 154.04 26.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.38 -5.42 20.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.76 -55.8 1.96 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.501 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 p -96.48 -26.09 15.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.934 0.367 . . . . 0.0 110.709 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.57 2.81 58.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.746 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.03 -159.64 23.47 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -99.88 151.64 21.06 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 44' ' ' HIS . 21.7 mt -67.2 108.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.422 -178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.29 25.96 8.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 1.2 t0 -90.49 -169.18 2.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.021 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -70.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 4.2 m-85 -102.97 143.57 32.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.968 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 21' ' ' LYS . 1.5 pp -100.5 149.78 23.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.37 162.88 22.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.92 149.39 31.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.173 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -143.03 -98.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.447 ' HG2' ' H ' ' A' ' 39' ' ' MET . 3.6 ptp -84.1 52.85 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.423 0.63 . . . . 0.0 110.058 175.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.89 27.85 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.964 178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.36 9.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.3 m-85 -88.11 131.99 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 17.8 m95 -134.65 165.51 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.26 0.552 . . . . 0.0 111.608 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.811 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.7 167.94 20.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 172.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -29.69 34.63 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -172.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -41.6 73.64 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -98.37 -31.39 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.514 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -76.69 69.69 3.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.576 0.703 . . . . 0.0 109.955 177.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -145.38 165.5 28.31 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.342 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 51.0 t -60.75 134.27 56.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.915 174.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -8.86 59.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.529 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.39 -46.0 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.326 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -109.47 -13.46 14.57 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.067 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 68.62 22.08 7.7 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.258 174.647 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.68 127.68 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 2.4 mp0 -59.77 97.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.428 0.455 . . . . 0.0 111.34 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -64.8 -23.33 67.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -176.75 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.9 -28.45 66.83 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.583 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -92.1 6.44 46.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.916 -177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.2 mt -120.52 -54.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.27 23.24 22.63 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.185 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 127.32 32.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.337 -0.432 . . . . 0.0 111.317 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.41 96.71 0.08 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.25 165.38 24.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.765 -176.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 81.7 m-85 -123.09 153.77 39.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.149 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -136.21 162.65 32.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 666' ' ' TYR . 15.2 tttp -160.69 -78.48 0.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.59 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 33.73 0.59 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.165 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.77 17.17 80.07 Favored Glycine 0 C--N 1.329 0.189 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.07 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -178.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.18 115.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.984 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.529 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 2.9 mp -131.63 148.73 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.752 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 24.1 p -74.61 173.43 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.79 -46.23 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.225 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.78 -44.96 60.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.677 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -68.01 -37.65 81.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.869 -172.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 33.4 t80 -59.89 -44.0 94.46 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.741 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.23 -36.41 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -67.62 -44.61 77.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.24 -62.15 1.77 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.98 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 63.3 m-85 -107.07 -90.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 -173.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.789 -1.006 . . . . 0.0 111.461 -176.527 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.688 0.28 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.1 32.42 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.452 0.644 . . . . 0.0 110.365 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -93.91 64.18 3.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.583 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.59 61.18 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.761 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -172.42 100.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.13 174.77 9.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -78.51 122.69 26.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 0.0 110.379 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.73 -4.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.703 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.3 m -149.4 49.07 0.96 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.242 -0.286 . . . . 0.0 111.324 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' PHE . . . . . 0.46 ' HB3' ' H ' ' A' ' 651' ' ' GLU . 3.4 t80 -162.0 -99.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.759 ' HA ' ' HG3' ' A' ' 654' ' ' GLN . 4.5 pt-20 -77.05 -20.7 55.54 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -166.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -62.69 -29.92 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.26 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.82 54.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.362 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' GLN . . . . . 0.759 ' HG3' ' HA ' ' A' ' 651' ' ' GLU . 3.5 mt-30 -80.89 74.79 7.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -100.13 150.77 22.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.05 133.46 39.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.754 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.1 pt -110.41 165.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.09 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.37 147.76 98.81 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.088 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.14 65.55 3.45 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.118 2.545 . . . . 0.0 112.842 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.36 51.03 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.247 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -88.9 -31.17 18.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.1 48.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 29.3 mt -95.04 31.65 1.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.206 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.49 70.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.647 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -72.45 -26.04 61.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.824 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -97.12 -6.62 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -77.73 149.22 34.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.108 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.71 152.89 38.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.101 174.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.3 116.5 31.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.26 94.17 3.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.628 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 3.2 m -88.31 113.42 23.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.144 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' VAL . . . . . 0.572 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -90.67 106.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.091 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.552 ' HB ' ' HG ' ' A' ' 35' ' ' LEU . 1.8 mp -84.95 123.61 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.045 0.45 . . . . 0.0 110.233 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -87.61 138.15 31.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 110.718 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.16 111.18 22.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.891 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -2.07 31.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 111.022 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.16 102.89 13.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 122.21 -15.24 8.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.259 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.4 m -79.4 -8.95 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.628 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 683' ' ' LEU . 11.1 mp0 -110.42 102.29 10.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.411 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -23.2 67.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.941 0.401 . . . . 0.0 111.215 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -85.9 2.15 47.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.45 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 680' ' ' GLN . 0.2 OUTLIER -63.69 -47.49 81.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 0.0 110.875 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 172.21 -172.44 44.82 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -85.29 57.56 4.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.214 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 60.51 -129.26 46.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.085 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -99.58 7.24 59.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.85 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.27 -53.43 2.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -78.83 75.62 2.0 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 134.09 123.61 2.39 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -92.55 79.33 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 0.0 110.497 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.67 76.8 3.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.706 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -64.29 115.44 7.88 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.963 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 2.5 m -100.86 135.59 42.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.798 0.332 . . . . 0.0 110.552 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -80.65 -20.13 66.77 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.321 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -77.41 114.93 4.15 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.438 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 mt -113.73 -8.53 13.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.695 0.283 . . . . 0.0 110.927 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -35.96 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.702 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.417 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER 58.81 -114.49 0.74 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.268 -177.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 42' ' ' TYR . 10.1 mmtt -120.54 124.02 44.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -79.78 130.81 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.48 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.58 147.14 26.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.92 2.4 40.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.82 -55.94 1.27 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.654 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.54 -18.47 21.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.186 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.27 72.24 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.177 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.51 -140.07 11.21 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.843 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 148.49 38.15 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 48.3 mt -76.84 109.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.109 0.481 . . . . 0.0 110.445 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.58 14.36 23.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.389 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.57 175.49 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.449 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' HD1' ' A' ' 34' ' ' PHE . 8.1 tpt85 -76.69 -68.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 110.522 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' HD2' HG12 ' A' ' 672' ' ' VAL . 3.3 m-85 -101.86 123.69 46.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.465 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' HB ' ' A' ' 673' ' ' ILE . 1.3 pp -98.66 147.03 25.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.27 161.08 21.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.546 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.628 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -110.32 140.14 44.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.895 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.61 123.27 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.672 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 69.5 -72.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.969 0.793 . . . . 0.0 110.706 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -166.13 -2.1 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.715 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.17 170.01 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.989 -0.444 . . . . 0.0 111.394 -174.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 21' ' ' LYS . 14.2 m-85 -93.01 135.32 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.174 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 38' ' ' ALA . 3.8 m95 -137.63 179.05 6.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.236 0.541 . . . . 0.0 111.139 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -147.87 -178.32 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -54.81 10.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -77.76 -20.87 52.64 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -170.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 19.7 m -96.64 -36.04 10.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.181 0.446 . . . . 0.0 111.274 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.85 87.18 5.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -144.47 176.06 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.805 -178.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.9 t -71.91 137.61 47.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.484 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -79.52 -4.74 52.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.191 0.519 . . . . 0.0 110.227 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.25 -37.48 5.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.757 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 96.7 m -90.77 -34.96 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.201 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 66.41 9.53 6.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.554 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.95 122.28 22.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.395 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.615 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 87.3 mt-30 -54.95 102.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.732 0.645 . . . . 0.0 111.156 -176.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.517 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -69.07 -22.88 63.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.285 -177.01 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -10.48 85.71 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.86 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.43 3.34 43.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.479 0.657 . . . . 0.0 110.133 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.01 -46.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.782 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.2 22.0 31.06 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.616 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.13 127.31 32.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.322 . . . . 0.0 111.302 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.42 88.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.988 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.52 171.39 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.578 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' HE1' ' HG3' ' A' ' 74' ' ' ARG . 89.3 m-85 -131.31 170.75 14.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.009 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 t -146.02 179.61 7.36 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.932 0.396 . . . . 0.0 110.652 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -166.19 -63.89 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.8 36.65 2.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.231 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.02 -24.62 8.75 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.062 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.82 138.51 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.558 0.218 . . . . 0.0 110.65 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.41 108.97 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.987 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -118.87 149.61 41.26 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -178.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 29.9 p -65.01 170.07 4.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG3' ' HE1' ' A' ' 65' ' ' TYR . 7.8 ttp180 -49.69 -49.48 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.689 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -78.91 -33.78 45.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.215 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.858 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -67.2 -38.61 85.63 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.5 -43.64 89.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.849 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.476 ' H ' HG13 ' A' ' 78' ' ' ILE . 2.3 mt -68.12 -35.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.627 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -36.59 60.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.853 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -83.12 -61.02 1.97 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.981 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.13 -91.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.357 -1.246 . . . . 0.0 111.356 -175.351 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.879 0.371 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.2 tp -122.92 126.6 47.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.052 0.454 . . . . 0.0 110.004 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.25 63.45 1.17 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.443 0.639 . . . . 0.0 109.327 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -78.29 81.43 4.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.614 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -61.03 103.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.408 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -67.22 138.39 56.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -78.9 111.82 15.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.956 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.88 0.23 10.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.11 120.27 20.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.39 137.41 52.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.38 -39.96 67.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.496 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -60.83 -50.1 74.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.0 OUTLIER -118.14 83.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.764 178.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -97.78 -6.38 32.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.188 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -83.39 164.44 19.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 85.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.11 0.481 . . . . 0.0 111.571 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.21 163.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.71 131.22 77.21 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.13 -32.61 93.86 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.911 2.407 . . . . 0.0 112.763 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 153.49 32.39 0.03 OUTLIER Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.971 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.43 -12.94 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.219 0.51 . . . . 0.0 110.221 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.91 129.29 29.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.063 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.6 mt -90.63 59.43 4.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -43.66 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.335 0.588 . . . . 0.0 110.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.75 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.227 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -81.51 -3.41 53.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.312 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.47 146.83 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.208 0.528 . . . . 0.0 111.348 -176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -137.28 125.41 23.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.964 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.31 145.4 27.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.042 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.8 t -92.02 106.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.333 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.649 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -88.72 109.06 19.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.066 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.06 118.66 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.261 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.546 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -89.4 125.99 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.302 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.05 118.48 30.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.572 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 679' ' ' SER . 0.1 OUTLIER -80.22 73.57 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.923 -179.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.49 ' H ' ' HG3' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -75.63 -66.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.702 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.71 72.58 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 68.63 -100.12 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.492 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' SER . . . . . 0.498 ' HA ' HG22 ' A' ' 675' ' ' THR . 0.6 OUTLIER -101.44 -35.2 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.784 0.326 . . . . 0.0 110.64 176.717 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 0.0 OUTLIER -174.11 141.55 0.77 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.32 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.85 -27.9 67.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.645 177.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 13.29 22.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.763 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 0.8 OUTLIER -86.47 -32.17 20.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 179.051 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 86.37 -72.86 2.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.354 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 94.0 17.01 42.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.328 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 114.2 -156.18 15.81 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.328 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -159.84 -59.09 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.25 91.74 3.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -116.01 -112.39 2.78 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 179.5 -65.79 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -112.39 136.71 51.53 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 2.9 tpt -78.76 78.93 5.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.707 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -133.78 78.32 0.36 Allowed Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.422 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 57.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.882 0.372 . . . . 0.0 111.982 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -89.99 16.24 57.49 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.285 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -170.22 116.91 0.67 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -160.14 -174.54 4.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.642 0.258 . . . . 0.0 110.718 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.593 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -91.7 -33.45 15.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 54.21 -124.01 2.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.921 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -110.29 145.88 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.889 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 139.05 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.46 155.7 16.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.838 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.27 -2.68 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.92 -47.58 2.44 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.966 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 p -99.26 -46.85 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.84 6.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.015 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.02 -146.64 20.63 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.222 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 19' ' ' SER . 1.1 mtmt -92.91 145.27 24.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.684 HD12 ' HB3' ' A' ' 21' ' ' LYS . 95.7 mt -76.28 108.52 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.788 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.85 15.03 29.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.438 0.637 . . . . 0.0 110.23 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.5 175.06 11.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.32 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -65.0 1.06 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.546 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -101.94 126.25 48.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.282 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.12 148.62 22.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.44 145.21 51.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.976 0.417 . . . . 0.0 111.384 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.649 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -91.78 131.35 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.403 173.54 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -119.55 -84.18 0.66 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.073 0.463 . . . . 0.0 110.671 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtt -85.41 -47.48 9.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.894 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 41' ' ' SER . 6.3 p-10 -178.59 -15.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 -173.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -103.37 171.01 7.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.687 -177.527 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -91.36 131.52 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 5.1 m95 -130.67 174.82 9.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.335 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.431 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -137.4 170.67 15.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -38.09 17.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -171.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -35.46 63.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -174.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 58.7 m -97.22 -32.45 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.535 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -75.13 73.34 2.27 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 109.876 178.388 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 1.5 mtmt -143.86 178.6 7.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.928 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 19.5 t -68.83 139.72 55.22 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.122 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -11.47 59.67 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.107 0.48 . . . . 0.0 110.11 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -52.54 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.716 -176.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.51 -12.96 13.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.043 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.35 31.03 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.449 175.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' LYS . . . -67.01 148.17 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.743 ' HB3' ' HB2' ' A' ' 59' ' ' ASP . 6.0 mm100 -63.7 88.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.121 0.263 . . . . 0.0 111.357 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 2.0 mp -72.56 -22.33 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.21 0.43 78.4 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -101.98 12.74 36.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.307 0.575 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.21 139.63 32.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.994 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.86 28.72 4.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.337 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.23 130.17 46.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.618 0.247 . . . . 0.0 110.632 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 137.03 56.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.488 . . . . 0.0 111.516 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -176.54 3.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.808 177.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.622 ' HE2' ' HB3' ' A' ' 74' ' ' ARG . 54.6 m-85 -129.85 162.44 28.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 110.655 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -148.77 174.51 12.12 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.363 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HE1' ' A' ' 77' ' ' TYR . 15.8 tttp -158.2 -67.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.479 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.45 38.67 0.98 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.351 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.33 29.03 73.89 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.934 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.0 136.07 53.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.469 0.176 . . . . 0.0 110.838 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.468 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -78.96 108.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.451 176.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.77 150.63 51.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.115 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 22.9 p -73.28 164.62 26.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.08 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.622 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.52 -38.04 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.515 -178.715 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -72.03 -44.15 63.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.142 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.668 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.5 OUTLIER -73.48 -37.23 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.62 -174.122 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 67' ' ' LYS . 22.7 t80 -57.84 -47.19 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.645 0.26 . . . . 0.0 110.97 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.87 -29.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.132 0.492 . . . . 0.0 110.847 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -74.94 -32.31 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.854 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.87 -50.27 6.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -114.18 -95.33 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.064 0.459 . . . . 0.0 110.947 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.038 -175.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.179 0.514 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.9 153.25 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.559 -176.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -116.83 107.98 15.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.825 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -78.66 106.4 10.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -123.23 117.47 25.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.719 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -108.01 -142.42 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.785 -177.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 646' ' ' GLN . 6.9 t0 -79.83 73.15 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.185 0.517 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -75.27 102.69 2.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.057 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.81 111.0 5.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -120.19 -9.77 9.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.228 -174.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -62.12 -25.62 67.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.645 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -84.76 -17.6 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.984 0.421 . . . . 0.0 111.027 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.26 56.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.513 . . . . 0.0 110.58 -177.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -84.79 85.21 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.605 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' TRP . . . . . 0.418 ' HB2' HG12 ' A' ' 657' ' ' ILE . 0.0 OUTLIER -68.21 122.55 18.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.98 -177.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.48 57.24 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.418 HG12 ' HB2' ' A' ' 655' ' ' TRP . 2.2 pt -93.26 -157.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 7.4 t0 -95.68 112.35 58.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 8.9 Cg_exo -72.99 -6.4 18.93 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.188 2.592 . . . . 0.0 112.624 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -111.48 -1.03 27.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.105 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -77.4 -39.27 47.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.21 117.89 30.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 0.4 OUTLIER -116.27 16.11 15.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.472 174.641 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.7 -21.7 60.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.951 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.62 -18.77 43.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.164 0.507 . . . . 0.0 110.18 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.448 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 50.0 m-85 -90.35 -5.18 56.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.193 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.84 154.77 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.016 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 147.22 42.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.276 175.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -76.51 111.39 11.94 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.254 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t -87.06 96.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.081 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.2 m -87.64 103.36 15.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.974 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.47 116.1 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.58 128.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 10.0 t70 -71.22 100.46 2.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.911 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.41 70.08 4.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.739 -178.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -79.87 -12.18 59.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.906 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -75.59 101.2 4.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.998 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 130.29 -30.44 3.48 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.007 -175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -21.06 41.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.196 0.522 . . . . 0.0 110.182 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.508 ' HG2' ' H ' ' A' ' 680' ' ' GLN . 0.0 OUTLIER -72.25 104.22 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.025 176.036 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.24 64.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.798 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -81.74 -21.65 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 0.0 110.451 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.45 -46.25 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -100.63 13.13 59.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.625 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -127.15 26.77 4.95 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.47 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -80.78 -65.2 1.73 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.882 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.75 5.16 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.149 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -58.1 3.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.032 0.444 . . . . 0.0 110.775 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 119.29 179.84 16.69 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.806 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -95.24 63.42 1.43 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.625 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -127.72 149.84 50.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.68 0.276 . . . . 0.0 110.681 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.29 63.32 0.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.018 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -124.38 112.6 1.82 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.553 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.89 120.78 25.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . 155.22 -175.37 33.21 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.779 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 83.29 -37.21 2.73 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.204 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.4 mt -85.71 145.73 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 0.0 110.443 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.41 -21.87 16.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.484 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.8 m0 54.29 -112.15 0.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.601 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -142.78 134.66 26.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 129.54 34.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.028 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.546 ' HB3' HG13 ' A' ' 30' ' ' ILE . 29.3 p -101.95 154.82 18.6 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.273 0.558 . . . . 0.0 111.716 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.87 -45.98 19.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.824 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -63.87 4.2 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.368 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.07 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.488 . . . . 0.0 110.27 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 23.84 27.38 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.69 -138.78 4.74 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -116.08 139.85 49.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 21' ' ' LYS . 25.9 mt -66.63 107.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.184 0.516 . . . . 0.0 110.507 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.41 16.04 25.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.16 -171.89 2.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.78 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -88.85 -70.72 0.63 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.234 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -100.23 126.39 46.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.945 0.402 . . . . 0.0 111.397 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.38 149.43 24.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.444 176.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 149.44 49.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -91.62 138.78 31.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.526 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.94 121.89 6.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.125 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER 72.68 -64.23 0.4 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.067 0.854 . . . . 0.0 111.293 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -165.34 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.547 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.7 170.56 8.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.007 0.432 . . . . 0.0 111.724 -171.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.13 127.15 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.484 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.685 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -128.38 171.57 11.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.256 0.551 . . . . 0.0 110.901 177.385 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.732 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.0 p80 -131.31 -172.42 2.84 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -45.59 69.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -7.08 55.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.732 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.42 -57.83 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 43' ' ' TRP . 16.5 tp -75.2 93.21 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.707 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.755 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -144.78 166.64 24.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.07 177.289 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 t -66.92 127.97 34.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.817 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 0.92 26.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.506 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -102.34 -51.66 3.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.79 -177.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -110.59 -6.32 14.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.385 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.99 15.78 4.5 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.556 0.535 . . . . 0.0 111.83 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -64.6 122.53 17.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.755 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 11.4 mm-40 -61.63 120.67 11.05 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.45 0.469 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.83 14.04 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.248 0.547 . . . . 0.0 110.915 -174.451 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.45 -49.52 4.13 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.817 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.66 70.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.776 0.322 . . . . 0.0 111.145 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.41 ' HB ' ' H ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -124.91 -102.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.428 . . . . 0.0 111.682 -178.321 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 157.8 -51.55 0.41 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.83 132.2 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 154.13 41.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.268 0.556 . . . . 0.0 112.25 -175.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.81 160.71 27.25 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.546 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -127.13 159.53 33.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.239 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -144.73 158.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 111.012 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -164.51 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.795 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.72 18.76 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.252 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.25 23.87 77.04 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.22 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.7 mtm -130.91 147.59 52.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.82 113.21 21.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 5.0 mp -122.64 144.62 49.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.144 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 16.9 p -73.96 164.6 26.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.039 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -50.59 -45.13 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.647 178.382 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.05 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.13 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.523 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -80.32 -47.54 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.815 -175.396 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -59.48 -50.57 73.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.556 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.6 -33.92 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.076 0.465 . . . . 0.0 111.026 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 79' ' ' ARG . 14.4 ttm105 -73.84 -45.99 47.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.3 -51.58 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.89 -100.52 0.43 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -175.563 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.387 0.137 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.07 -35.37 9.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.629 HE21 ' HA ' ' A' ' 647' ' ' ASP . 0.3 OUTLIER -78.94 80.49 5.28 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.171 0.986 . . . . 0.0 111.695 -174.451 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.864 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -80.87 1.27 31.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.968 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.39 38.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.133 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.629 ' HA ' HE21 ' A' ' 643' ' ' GLN . 1.8 t70 -59.45 120.35 9.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -177.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.7 m -103.27 160.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.17 92.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.685 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.65 -24.25 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.359 0.6 . . . . 0.0 109.54 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.84 -17.6 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.904 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.1 -25.52 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.943 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.9 47.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.263 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -100.58 53.39 0.87 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.243 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -89.13 176.08 7.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 82.84 4.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.008 0.433 . . . . 0.0 111.144 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 2.0 pt -73.16 177.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.548 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.69 115.35 8.55 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 123.512 0.508 . . . . 0.0 110.397 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.96 -45.59 35.51 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.287 2.658 . . . . 0.0 113.362 -173.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -177.87 46.6 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.851 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.3 -22.12 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.796 0.331 . . . . 0.0 111.211 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.34 115.57 30.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.2 tp -107.76 1.75 23.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -69.78 -27.76 65.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.545 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.8 -25.2 63.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.48 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -100.1 -0.89 38.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.419 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.654 ' HD3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -74.49 132.57 42.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.139 -175.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.508 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 2.0 mtm -102.1 85.38 2.66 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.257 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.57 118.69 16.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.089 0.471 . . . . 0.0 110.735 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.1 t -84.62 124.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.688 -173.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 138.91 35.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.79 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.62 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 2.2 mp -107.76 123.27 63.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.49 123.23 28.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.531 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.57 119.45 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.189 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 -37.55 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.604 -175.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.46 -173.8 3.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.241 0.543 . . . . 0.0 110.205 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 78.96 -75.33 2.05 Favored Glycine 0 C--N 1.311 -0.836 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.793 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -47.43 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -177.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.1 49.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.164 0.507 . . . . 0.0 111.051 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -15.49 48.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.255 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -77.54 -18.82 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.35 93.34 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 118.78 -132.27 9.59 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.268 178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 159.95 -83.23 0.13 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.233 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 79.98 43.99 9.42 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.06 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 62.72 -98.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.649 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -15.27 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.209 0.528 . . . . 0.0 110.626 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 143.16 102.28 0.42 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.227 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.25 74.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -120.86 127.87 52.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.19 113.12 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.54 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -68.05 137.43 31.7 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.538 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' SER . . . . . 0.61 ' HB3' ' HD1' ' A' ' 20' ' ' TRP . 1.4 m -75.68 60.09 1.24 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.053 0.454 . . . . 0.0 111.99 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -81.7 108.38 2.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.946 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 60.77 30.33 72.41 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.716 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 909' ' ' SER . 0.1 OUTLIER -96.48 -158.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.761 0.315 . . . . 0.0 111.31 -175.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.468 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.64 -22.06 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.61 ' HD1' ' HB3' ' A' ' 909' ' ' SER . 2.1 m0 56.05 -111.06 0.59 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.742 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -122.74 123.19 40.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.985 177.079 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.55 128.24 34.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.333 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 p -93.91 154.75 17.53 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.685 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 -44.25 10.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -170.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -69.82 1.28 Allowed Glycine 0 C--N 1.328 0.129 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.831 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -46.27 90.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 0.0 110.363 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.36 36.14 5.24 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.72 -117.55 2.25 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.97 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -140.44 137.61 34.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.779 0.323 . . . . 0.0 110.308 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.983 HG23 ' HB3' ' A' ' 44' ' ' HIS . 5.7 mt -72.17 108.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.383 0.611 . . . . 0.0 110.691 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.44 21.34 17.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.096 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.531 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -87.8 5.54 39.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.066 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.6 -63.7 0.42 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.707 0.629 . . . . 0.0 110.462 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.17 127.97 47.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -97.29 159.46 14.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.92 134.98 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.822 -176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -100.59 103.39 14.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 177.139 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -107.4 -110.37 0.3 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 39' ' ' MET . 0.7 OUTLIER -78.69 65.33 3.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.253 . . . . 0.0 111.537 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 74.59 -16.98 0.5 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.57 171.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.35 170.61 8.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -91.42 130.66 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.573 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 11.1 m95 -132.21 168.87 17.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.251 0.548 . . . . 0.0 111.208 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.983 ' HB3' HG23 ' A' ' 30' ' ' ILE . 1.4 p80 -135.56 -169.73 2.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 174.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.679 ' HB3' ' HG3' ' A' ' 56' ' ' GLN . 53.7 m -70.15 -17.6 63.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.167 0.439 . . . . 0.0 111.676 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.8 mtm-85 -100.25 -7.63 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.688 0.28 . . . . 0.0 111.034 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -100.78 -55.6 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.845 0.355 . . . . 0.0 110.049 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -76.23 77.76 3.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.982 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -144.56 161.08 40.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.139 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.7 t -65.89 132.42 48.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.709 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 m -70.16 -9.45 55.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.185 0.517 . . . . 0.0 110.498 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 -47.16 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.05 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 94.5 m -80.42 -35.62 34.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.517 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 63.04 26.5 15.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.65 154.88 17.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.922 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 45' ' ' SER . 3.9 mp0 -65.05 97.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 111.212 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.8 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -77.75 -20.3 53.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.419 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.64 -17.18 71.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.155 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.07 38.27 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 111.52 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.09 143.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.318 . . . . 0.0 110.77 176.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.64 94.93 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.787 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 118.28 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.654 ' HB2' ' HD3' ' A' ' 667' ' ' LYS . 1.2 m -73.05 161.54 30.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.042 0.449 . . . . 0.0 111.394 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.33 169.08 18.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 98.0 m-85 -129.71 156.86 43.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.175 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 t -143.13 168.98 18.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -166.66 -60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.34 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.41 20.64 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.441 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 24.04 66.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.78 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 25.3 mtm -115.99 151.54 35.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.37 109.04 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.948 0.404 . . . . 0.0 110.311 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -131.5 156.0 46.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.931 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -72.01 170.97 12.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -62.42 -25.43 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.761 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -82.28 -47.8 11.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.485 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -65.61 -42.5 91.5 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.467 -175.167 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.7 -47.79 84.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.805 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.603 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 64.3 mt -69.29 -37.73 76.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.479 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 79' ' ' ARG . 3.5 ttp-105 -64.14 -41.93 97.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.567 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -63.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.82 -64.09 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.603 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -1.151 . . . . 0.0 111.842 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 95.23 0.01 OUTLIER 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.569 0.543 . . . . 0.0 111.457 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.16 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -119.2 3.32 11.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.611 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.56 124.16 15.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.944 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 55.14 41.31 31.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.177 0.513 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.35 99.82 3.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 7.9 m -122.93 179.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.912 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 135.18 43.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.4 140.53 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -176.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -69.61 -14.62 62.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -79.63 -16.24 56.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.63 89.41 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.515 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -108.21 49.46 0.81 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.368 0.604 . . . . 0.0 110.371 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 6.6 p-90 -89.7 -155.78 0.38 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.795 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.64 76.2 4.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.954 0.407 . . . . 0.0 110.519 176.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.479 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.2 OUTLIER -88.25 -8.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 110.18 -178.45 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.03 125.46 85.26 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.756 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.57 -1.98 11.11 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 146.17 85.65 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.796 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.89 62.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.019 0.437 . . . . 0.0 110.582 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -76.75 116.07 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.98 177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER -93.07 50.04 1.49 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.356 . . . . 0.0 111.336 -175.487 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -53.32 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.109 0.48 . . . . 0.0 110.738 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLN . . . . . 0.412 ' H ' ' HG2' ' A' ' 665' ' ' GLN . 4.5 mm-40 -71.81 -15.37 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.81 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 3.3 m-30 -86.97 -14.25 42.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -73.22 123.74 24.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.483 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 12.5 ptp -87.04 106.0 17.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.25 111.93 3.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.238 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.14 94.82 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.314 0.578 . . . . 0.0 110.761 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -92.02 113.58 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.327 178.277 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 672' ' ' VAL . . . . . 0.453 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -87.68 137.71 20.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.947 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mp -110.26 132.64 58.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 7.5 t70 -70.14 93.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 2.1 m 75.12 158.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.116 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.84 ' HA ' HD21 ' A' ' 35' ' ' LEU . 1.1 ptmm? -67.54 -15.99 63.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.893 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -92.32 -152.8 0.32 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.077 0.465 . . . . 0.0 111.51 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 100.92 -49.06 1.1 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.236 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.23 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.239 0.542 . . . . 0.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.26 90.97 5.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.14 37.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.882 -176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -103.53 2.12 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.571 . . . . 0.0 109.8 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.4 64.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.384 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -115.11 -37.6 1.11 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.569 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 112.09 -121.07 5.55 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.075 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 82.07 30.55 34.36 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.642 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 80.5 -71.9 2.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.752 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 3.8 m -121.18 126.47 49.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -87.64 31.98 4.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.969 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 83.67 -78.53 2.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.95 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -105.02 147.96 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -77.19 117.51 18.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 123.71 146.82 7.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.16 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.1 m -78.02 106.65 10.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.563 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -70.85 149.2 45.96 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 75.47 67.67 1.68 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.59 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.61 10.7 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.594 -173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -24.7 19.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.404 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 48.61 -113.72 0.59 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -118.93 154.96 32.15 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.479 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -125.49 119.03 27.11 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 -172.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 4.8 p -88.87 154.88 19.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.29 7.13 45.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -104.47 -81.86 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.659 -175.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 15.7 p -82.17 -105.11 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.584 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -79.79 -16.23 77.7 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.135 -171.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 23' ' ' CYS . . . 77.76 12.34 84.55 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.827 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -142.16 102.48 4.12 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' LYS . 63.0 mt -76.35 107.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.454 0.645 . . . . 0.0 110.998 -175.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.08 18.79 21.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.854 171.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -83.08 -177.9 6.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.257 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.673 ' O ' ' HA ' ' A' ' 675' ' ' THR . 0.0 OUTLIER -82.25 -72.21 0.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -101.78 153.2 20.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.828 -174.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.947 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 10.9 mt -100.17 157.59 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.085 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 48' ' ' LEU . 12.1 mt -137.3 135.14 36.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.704 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.6 OUTLIER -97.51 142.32 29.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.581 174.651 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -127.24 -77.73 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.083 0.468 . . . . 0.0 110.276 176.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -100.38 -47.96 4.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.31 -22.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.269 -175.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.9 164.47 13.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 111.37 -172.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 13.8 m-85 -83.48 127.3 33.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.545 173.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.482 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 12.7 m95 -128.01 -178.88 4.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.242 0.544 . . . . 0.0 110.399 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.7 p80 -145.75 178.21 8.33 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -31.37 67.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.82 -18.63 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -100.22 -40.66 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.238 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.07 65.54 5.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.635 0.731 . . . . 0.0 110.563 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 164.1 20.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.064 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 43.5 t -62.1 139.87 58.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.784 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.51 -8.0 59.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.559 176.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.41 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -113.99 -51.84 2.76 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.782 -176.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.32 -22.61 19.62 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 67.43 30.85 6.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.277 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.44 141.35 28.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -73.64 82.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.935 0.398 . . . . 0.0 110.445 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD21 ' SG ' ' A' ' 73' ' ' CYS . 98.1 mt -65.08 -19.55 66.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.408 -176.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.497 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -83.16 -20.38 60.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -17.32 19.03 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.838 0.828 . . . . 0.0 110.293 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -101.86 143.63 14.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 114.448 -1.251 . . . . 0.0 108.819 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 56.96 1.63 Allowed Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.494 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 137.58 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.791 0.329 . . . . 0.0 111.562 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.43 79.27 5.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 158.14 36.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.228 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.92 164.38 15.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.483 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 3.3 t -152.78 168.55 25.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.183 0.516 . . . . 0.0 111.282 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.596 ' HD3' ' HB3' ' A' ' 81' ' ' PHE . 1.9 tttp -140.16 -67.04 0.44 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.425 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.92 25.07 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.107 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.38 15.31 76.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mtt -89.95 133.68 34.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -85.76 113.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 80' ' ' LEU . 1.6 mp -142.39 158.58 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.266 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.0 m -85.36 -170.26 3.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.084 0.469 . . . . 0.0 110.848 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 74' ' ' ARG . 5.2 mmt180 -65.93 -56.21 12.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.11 -172.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -43.49 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 111.509 -172.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.94 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.229 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 24.6 t80 -66.91 -43.02 84.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.535 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 663' ' ' LEU . 27.1 mm -61.9 -40.19 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.33 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -46.97 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.844 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -73.66 -57.49 3.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.946 -175.571 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.596 ' HB3' ' HD3' ' A' ' 67' ' ' LYS . 96.9 m-85 -107.87 -62.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 0.0 111.703 -175.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.421 -174.15 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 120.589 0.233 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -18.96 8.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 110.767 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -116.91 122.14 43.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -161.96 -31.75 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.058 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.15 77.19 0.29 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.907 0.754 . . . . 0.0 111.634 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.03 77.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.146 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.67 109.87 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.015 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.7 m -97.99 8.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.949 -173.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.2 115.63 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.32 -10.26 57.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.032 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.909 ' HA ' ' HG3' ' A' ' 654' ' ' GLN . 22.1 mm-40 -63.76 -28.88 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.329 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -69.55 -24.99 63.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.345 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.62 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.004 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' GLN . . . . . 0.909 ' HG3' ' HA ' ' A' ' 651' ' ' GLU . 1.0 OUTLIER -91.54 -5.54 53.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 655' ' ' TRP . . . . . 0.494 ' CZ3' HG23 ' A' ' 657' ' ' ILE . 1.4 p-90 -100.77 172.32 7.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.145 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.13 116.97 33.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.494 HG23 ' CZ3' ' A' ' 655' ' ' TRP . 0.2 OUTLIER -115.13 179.56 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.247 176.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.24 144.31 98.08 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.243 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.51 -31.37 48.46 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.769 2.313 . . . . 0.0 111.992 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -118.54 55.44 0.59 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.44 -23.24 66.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 111.346 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -100.95 16.8 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.155 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 90.4 mt 58.94 33.73 23.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.662 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -60.76 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.193 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -80.99 -11.55 59.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.836 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.95 -35.29 59.76 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.127 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -69.65 133.73 47.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.894 177.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.57 121.82 34.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.242 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.99 105.41 5.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.547 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 26.4 t -82.57 107.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.379 0.609 . . . . 0.0 110.147 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -90.64 106.82 18.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.987 178.643 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 14.9 t -87.21 115.89 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.501 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.409 HG23 ' CG ' ' A' ' 676' ' ' LYS . 1.3 mp -84.75 112.58 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.128 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.91 76.25 7.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.754 177.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 42.09 42.35 2.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.702 -176.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -102.75 -13.44 17.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.523 -175.519 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ASP . . . . . 0.57 ' HA ' ' OE1' ' A' ' 680' ' ' GLN . 0.6 OUTLIER -77.64 81.71 4.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.419 0.628 . . . . 0.0 111.031 -175.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 163.06 -27.42 0.23 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.009 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -1.22 57.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 111.027 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.57 ' OE1' ' HA ' ' A' ' 677' ' ' ASP . 1.1 pt20 -65.53 111.24 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.61 -175.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -3.98 52.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.423 175.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -84.47 5.27 28.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.22 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 156.43 32.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.016 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -82.1 79.85 1.82 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.938 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -175.55 174.48 46.87 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 154.06 -132.86 3.69 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.047 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -154.0 54.07 0.44 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.79 118.82 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 119.72 -113.4 2.47 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.986 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -115.81 86.88 0.42 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.65 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -88.26 132.71 34.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.001 0.429 . . . . 0.0 110.7 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 3.7 ttm -100.01 -20.93 15.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 97.82 -65.35 0.85 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 66.18 4.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 110.097 176.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -110.55 104.54 1.8 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.444 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 118.58 148.38 8.45 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.719 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -121.75 1.84 9.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -178.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -34.37 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m0 56.98 -104.74 0.24 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.676 0.61 . . . . 0.0 111.044 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.6 OUTLIER -133.16 142.52 48.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.91 179.45 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.91 134.38 37.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.29 153.98 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.485 0.66 . . . . 0.0 111.646 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.85 -3.49 26.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.09 -55.41 1.2 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.528 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -101.27 -28.16 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.216 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.59 -12.52 59.67 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.382 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.44 -157.05 20.72 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.782 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -100.0 136.35 40.04 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 5.7 mt -71.69 108.9 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.115 0.483 . . . . 0.0 110.091 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . . . -122.08 15.13 10.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.6 -91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.038 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -176.93 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.7 131.57 45.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -94.86 141.91 28.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.691 178.496 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.857 HD13 ' HA3' ' A' ' 58' ' ' GLY . 28.7 mt -123.24 151.02 42.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.983 0.42 . . . . 0.0 111.105 -176.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -119.05 105.81 11.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.194 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 1.029 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -78.66 -44.37 23.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.0 110.887 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtm -148.18 -64.47 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.28 -177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -146.11 -7.97 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.178 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.66 170.04 9.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.669 0.271 . . . . 0.0 111.024 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -98.99 132.43 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -135.83 176.8 8.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.786 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -139.12 179.62 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.458 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -40.22 64.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -171.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -12.71 44.29 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.49 -36.12 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.495 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.029 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.78 73.69 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.385 0.612 . . . . 0.0 110.937 -178.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 1.4 mtmt -132.2 165.57 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.999 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 50.8 t -59.4 136.92 58.12 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 173.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 m -77.35 0.04 23.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 0.0 110.388 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 -36.85 3.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.959 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 99.5 m -95.88 -31.19 13.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 111.621 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 63.71 24.19 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.114 -171.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.96 134.76 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.332 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -65.83 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 111.324 -175.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 56.2 mt -69.05 -21.18 64.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.661 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.857 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -87.28 -3.75 81.68 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.537 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -100.3 2.9 43.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.106 0.955 . . . . 0.0 109.814 177.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.48 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 4.5 mt -132.23 145.9 33.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.521 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.66 57.99 2.1 Favored Glycine 0 C--N 1.319 -0.416 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.525 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -98.05 115.64 28.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.002 0.43 . . . . 0.0 111.436 -174.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -75.02 81.42 2.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.692 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 667' ' ' LYS . 0.5 OUTLIER -70.32 144.15 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.011 -178.438 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -112.39 146.04 39.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 t -134.11 166.35 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.049 0.452 . . . . 0.0 110.813 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -63.67 0.47 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.254 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.86 42.45 1.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.305 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 28.22 73.5 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.667 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.74 131.84 55.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.62 107.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.025 0.441 . . . . 0.0 110.585 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 1.2 mt -129.9 157.24 42.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.8 p -74.38 177.11 6.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.544 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -59.75 -42.12 92.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.586 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -35.75 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.877 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -70.03 -37.13 75.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.615 -175.153 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -57.03 -45.84 82.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.32 -40.64 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 0.0 110.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -32.13 71.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -62.6 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.063 0.458 . . . . 0.0 110.906 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -112.9 -82.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.492 -1.171 . . . . 0.0 111.385 -176.349 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 109.34 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -78.71 -34.88 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -74.88 147.88 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 646' ' ' GLN . 7.8 t-20 -87.24 119.93 28.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.735 -174.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 645' ' ' ASN . 1.5 mt-30 72.98 -72.74 0.11 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.639 176.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.35 160.71 28.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.412 ' O ' ' HD1' ' A' ' 650' ' ' PHE . 0.1 OUTLIER -73.46 176.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 -179.31 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 70.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.199 0.524 . . . . 0.0 111.259 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 650' ' ' PHE . . . . . 0.412 ' HD1' ' O ' ' A' ' 648' ' ' VAL . 28.7 p90 -84.28 -6.53 59.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.622 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -37.49 16.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -67.2 -34.95 78.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.2 100.17 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 111.037 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' GLN . . . . . 0.408 ' H ' ' HG3' ' A' ' 654' ' ' GLN . 0.0 OUTLIER -81.69 70.77 8.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.805 177.149 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 655' ' ' TRP . . . . . 0.583 ' HB3' HG12 ' A' ' 657' ' ' ILE . 1.8 m95 -82.18 103.37 11.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.08 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.06 57.51 2.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.583 HG12 ' HB3' ' A' ' 655' ' ' TRP . 1.2 pt -102.99 -167.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.516 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 1.6 m-20 -66.87 110.26 4.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 1.2 Cg_endo -83.39 54.68 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.336 2.69 . . . . 0.0 112.65 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 83.07 26.52 44.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.23 -9.34 52.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.226 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.63 -26.05 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.438 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER 65.58 15.46 10.05 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.182 174.631 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -35.04 79.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 0.0 111.495 -177.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -11.12 59.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.079 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -101.1 3.13 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.88 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.49 129.14 36.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 111.218 -176.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.436 ' HG3' ' H ' ' A' ' 668' ' ' MET . 0.8 OUTLIER -102.31 141.35 35.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.594 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -99.45 113.66 26.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.56 95.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.079 0.466 . . . . 0.0 111.052 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -91.68 130.31 37.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.324 177.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.59 121.38 65.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 37' ' ' TYR . 2.9 mp -115.44 140.38 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.763 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.36 155.22 34.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.94 123.34 22.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.697 0.284 . . . . 0.0 111.271 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -53.91 41.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.7 101.25 13.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 0.0 109.932 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 150.71 -71.14 0.3 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.363 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.49 -32.65 42.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.855 0.36 . . . . 0.0 110.475 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.26 53.26 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.504 . . . . 0.0 110.267 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -10.17 59.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -51.53 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.047 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -2.12 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -136.63 73.4 0.44 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.528 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 143.03 -52.0 0.65 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.061 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 97.91 -65.13 0.84 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.815 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 178.27 -139.32 4.08 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.095 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 15.8 m -102.8 178.06 4.67 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 137.86 16.43 0.68 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.202 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 140.95 154.9 6.32 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -83.91 79.09 9.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.067 0.461 . . . . 0.0 110.064 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -90.7 -13.42 34.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 86.17 172.64 48.81 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.29 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.95 178.91 6.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.665 0.269 . . . . 0.0 110.722 178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.51 26.81 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -124.81 90.1 0.4 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -0.29 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.415 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 20.1 m -90.36 -17.26 27.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.467 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.3 m-90 49.92 -110.04 0.41 Allowed 'General case' 0 N--CA 1.461 0.093 0 O-C-N 123.787 0.679 . . . . 0.0 110.427 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 1.4 mmtt -134.44 152.3 51.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.02 145.41 26.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 110.359 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.572 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 23.3 m -59.1 155.28 14.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.777 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.72 -17.02 9.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.024 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.1 -60.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.777 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.04 -66.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.004 0.402 . . . . 0.0 110.642 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' ' CB ' ' A' ' 23' ' ' CYS . . . 123.95 34.58 0.72 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.572 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -140.32 -131.23 2.73 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.045 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 19' ' ' SER . 10.9 mtmm -112.92 134.29 54.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.767 0.318 . . . . 0.0 110.187 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 44' ' ' HIS . 45.8 mt -74.49 109.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.199 0.523 . . . . 0.0 110.272 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.35 21.08 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.85 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 7.0 m-20 -85.4 -178.36 6.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.442 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -46.45 6.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.831 0.348 . . . . 0.0 110.358 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -101.59 135.82 42.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.247 0.546 . . . . 0.0 111.726 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -93.8 140.8 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.484 177.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.37 134.72 54.84 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.008 0.432 . . . . 0.0 111.572 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 1.3 m-85 -99.92 117.15 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -103.92 -32.21 9.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.787 0.327 . . . . 0.0 111.423 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.0 ptp -163.29 -34.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.279 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -29.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.18 165.62 15.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -175.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' HB3' HD23 ' A' ' 35' ' ' LEU . 16.2 m-85 -94.85 117.4 30.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.2 m95 -120.52 176.55 5.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 0.0 110.431 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.784 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -133.79 -173.97 3.39 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 167.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.174 0.443 . . . . 0.0 111.282 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -30.52 29.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.114 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.784 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -79.17 -53.78 6.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.894 0.378 . . . . 0.0 110.306 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -76.06 85.88 2.95 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.808 -176.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 164.96 27.93 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.61 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.87 135.28 52.25 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.098 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -78.03 -8.96 58.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.647 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.59 -52.5 3.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.95 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.35 -10.08 17.21 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.415 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 27.37 16.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.186 176.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.64 34.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -73.66 67.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 109.878 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 64' ' ' SER . 4.3 tp -66.73 -23.05 66.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.191 -170.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HB3' ' A' ' 48' ' ' LEU . . . -78.56 -21.21 69.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.668 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 13.11 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.333 0.587 . . . . 0.0 110.635 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.98 141.37 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.787 177.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.26 64.3 2.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.114 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.74 153.5 17.84 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.473 0.309 . . . . 0.0 110.931 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -82.82 66.84 8.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.043 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.39 151.01 44.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.651 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 663' ' ' LEU . 53.5 m-85 -123.34 149.47 44.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.15 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.28 138.24 52.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.263 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.56 133.33 10.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.637 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m 57.17 36.58 27.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.395 0.617 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.4 19.04 74.05 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.792 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.4 mtm -111.38 150.93 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.822 0.311 . . . . 0.0 110.448 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.4 113.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 7.2 mp -124.36 149.46 46.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 20.4 p -72.39 166.49 22.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.029 176.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -49.93 -54.34 20.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.488 -170.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -78.25 -25.77 46.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.583 -175.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.692 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 2.3 m-20 -77.66 -26.19 50.18 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.521 -175.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HE2' HD11 ' A' ' 663' ' ' LEU . 15.3 t80 -59.59 -46.35 89.2 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.52 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 78' ' ' ILE . 0.8 OUTLIER -68.17 -27.19 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 178.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -64.88 -44.15 90.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.325 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 72' ' ' LEU . 3.0 mp -84.15 -58.38 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.065 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 99.0 m-85 -106.39 -98.1 0.35 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -175.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.792 -175.816 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 121.114 0.483 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.53 128.7 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.005 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.83 145.58 25.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.065 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.49 59.63 2.18 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.868 0.73 . . . . 0.0 111.233 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -75.04 86.83 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.459 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -86.0 117.13 24.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.285 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.49 159.14 15.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.839 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.43 122.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.234 0.54 . . . . 0.0 110.523 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' SER . . . . . 0.445 ' HB2' ' HB2' ' A' ' 652' ' ' ASN . 0.3 OUTLIER -76.76 89.24 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.542 179.545 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -20.99 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.37 -177.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 654' ' ' GLN . 29.0 mp0 -76.25 -16.33 59.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' ASN . . . . . 0.445 ' HB2' ' HB2' ' A' ' 649' ' ' SER . 1.7 t30 -68.79 -28.93 67.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.183 0.516 . . . . 0.0 110.606 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 653' ' ' ILE . 1.1 pp -107.87 16.63 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.633 0.73 . . . . 0.0 110.229 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' A' ' 651' ' ' GLU . 1.7 mt-30 -124.47 33.13 5.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.312 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -74.74 140.53 44.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.747 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.67 122.95 19.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -4.94 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 22.3 t70 -80.02 117.33 66.94 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 3.2 Cg_exo -76.58 -5.7 16.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.014 2.476 . . . . 0.0 112.102 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -78.7 -49.57 6.5 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -76.93 -8.42 57.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.19 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.24 85.73 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.061 0.457 . . . . 0.0 110.495 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.476 ' H ' ' HG ' ' A' ' 663' ' ' LEU . 0.0 OUTLIER -100.4 24.09 9.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.547 179.032 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -32.35 73.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.151 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -86.3 -10.36 54.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.156 0.503 . . . . 0.0 110.063 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 663' ' ' LEU . 15.3 m-85 -90.89 -5.66 55.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.564 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 147.65 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.408 ' HE3' HG23 ' A' ' 71' ' ' ILE . 24.0 ptp -100.4 150.34 22.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.15 107.56 19.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.433 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 10.3 t -84.9 94.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 2.9 m -96.63 125.16 40.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.567 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.84 130.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.0 0.428 . . . . 0.0 110.099 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -91.42 131.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.76 129.38 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.231 -176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 1.9 t -121.09 125.24 46.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 9.2 38.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.808 0.814 . . . . 0.0 110.254 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.52 129.07 46.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.127 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.17 -16.85 60.15 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.891 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -13.49 29.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.89 0.376 . . . . 0.0 111.213 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.519 ' HG3' HD13 ' A' ' 683' ' ' LEU . 0.0 OUTLIER -133.49 28.18 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.014 -176.366 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -26.89 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.639 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -82.75 -18.04 42.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.519 HD13 ' HG3' ' A' ' 680' ' ' GLN . 1.2 mp -89.31 -44.55 10.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.135 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 111.11 122.16 4.24 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.33 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -83.2 61.29 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.959 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -101.26 135.0 11.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.446 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 91.69 -21.68 34.76 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.547 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 74.03 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -70.6 -26.86 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.516 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -94.3 17.75 58.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.171 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.51 131.09 54.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.859 0.362 . . . . 0.0 110.443 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.77 149.69 23.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.053 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -103.73 -163.97 25.14 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.807 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.11 95.5 1.65 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -77.86 72.64 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.464 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 120.77 -167.99 13.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.13 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -112.37 3.02 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.866 0.365 . . . . 0.0 110.521 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -34.92 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 29' ' ' LYS . 2.0 m0 58.88 -103.45 0.17 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.345 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -135.74 132.76 37.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.001 177.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 61.9 mtm-85 -96.93 129.75 44.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.04 157.35 21.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.211 0.529 . . . . 0.0 111.932 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.75 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -88.28 -92.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.98 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.25 -46.78 35.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 111.033 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.08 52.33 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 22' ' ' ARG . . . -107.83 -155.65 18.97 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.743 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CE3' ' A' ' 20' ' ' TRP . 13.3 mtpt -92.22 124.61 36.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 21' ' ' LYS . 61.6 mt -69.15 107.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.372 0.605 . . . . 0.0 109.491 177.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.91 20.19 15.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.268 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.48 8.22 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.428 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 73.15 -65.54 0.35 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.903 0.881 . . . . 0.0 111.328 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -100.26 124.61 45.92 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.83 0.347 . . . . 0.0 110.365 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.5 153.35 19.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.407 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.81 165.62 13.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -114.41 149.82 35.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.294 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -140.3 -87.89 0.19 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.143 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -79.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 110.045 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -148.16 9.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.404 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 170.58 8.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.503 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -97.66 136.14 38.45 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -130.31 -179.37 5.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.653 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.6 p80 -150.44 -171.46 3.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.76 -35.13 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -175.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -82.45 -19.95 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.373 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.75 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -100.75 -45.64 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.07 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.94 72.85 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.54 0.686 . . . . 0.0 111.354 -173.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 56' ' ' GLN . 14.4 mttt -136.23 158.69 43.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.576 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 36.1 t -58.81 134.82 57.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.797 175.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -2.69 42.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.143 0.497 . . . . 0.0 110.435 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.574 ' HB2' ' OD2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -103.95 -50.7 3.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.6 -178.087 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p -115.15 -4.85 12.43 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.577 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.6 40.43 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.574 178.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 139.74 32.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.869 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -69.23 118.82 12.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.955 0.407 . . . . 0.0 111.023 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 64' ' ' SER . 5.0 mt -106.04 -7.51 18.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.46 -33.71 5.28 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.804 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -99.48 0.35 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.498 0.666 . . . . 0.0 111.097 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.6 141.39 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.734 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.76 65.53 1.13 Allowed Glycine 0 C--N 1.321 -0.254 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.571 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.661 ' HB ' HD23 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -98.56 131.52 44.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 178.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.481 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -66.0 111.39 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.657 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -113.36 133.98 54.87 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.99 172.06 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.386 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t -143.15 179.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 68' ' ' SER . 14.2 tttp -171.59 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.84 46.01 1.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.24 179.647 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.44 5.08 62.42 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.267 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 32.0 ttm -95.46 146.59 24.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 110.767 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' HE3' ' A' ' 668' ' ' MET . 2.9 mp -97.94 110.93 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -125.99 149.7 48.61 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.91 -176.13 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -82.03 179.55 7.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -57.83 -53.1 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.37 -177.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -36.92 75.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.631 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 4.1 m-20 -77.12 -36.91 55.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.739 -173.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.0 t80 -55.88 -51.87 66.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.063 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.65 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 1.6 mt -71.85 -26.03 25.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.925 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -71.57 -41.12 69.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.68 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -60.02 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.22 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.29 -55.32 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.864 0.364 . . . . 0.0 111.212 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -173.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.831 0.348 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 37.3 mt -136.29 89.51 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.147 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 65.53 40.64 4.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.051 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.463 ' HB3' ' H ' ' A' ' 645' ' ' ASN . 2.0 t-20 -110.31 -91.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.186 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 645' ' ' ASN . . . . . 0.463 ' H ' ' HB3' ' A' ' 644' ' ' ASN . 12.1 t-20 -134.72 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.67 0.272 . . . . 0.0 110.616 -177.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.1 55.11 3.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.297 0.57 . . . . 0.0 110.547 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.83 56.12 1.96 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.2 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -75.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.423 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.99 129.79 45.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.992 0.425 . . . . 0.0 111.02 -176.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -100.7 93.44 5.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.466 ' H ' ' HG3' ' A' ' 651' ' ' GLU . 0.0 OUTLIER -64.09 -20.91 66.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.698 -177.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -28.71 69.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.926 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -107.75 44.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.615 0.722 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -96.17 75.41 3.0 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.07 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.09 147.41 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.109 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 2.8 m -114.81 48.71 1.11 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.391 0.615 . . . . 0.0 110.68 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.472 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.7 OUTLIER -121.35 -170.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.412 -179.488 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' A' ' 659' ' ' PRO . 31.4 t0 -73.54 116.26 49.69 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.251 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 658' ' ' ASP . 23.0 Cg_endo -62.11 -22.72 74.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.565 2.176 . . . . 0.0 112.072 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -105.93 29.24 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.069 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.83 -52.4 44.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.779 0.323 . . . . 0.0 110.706 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' ASP . . . . . 0.589 ' C ' ' HG ' ' A' ' 663' ' ' LEU . 6.0 t0 -83.87 163.79 19.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.589 ' HG ' ' C ' ' A' ' 662' ' ' ASP . 0.0 OUTLIER 48.22 33.83 4.0 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.413 0.685 . . . . 0.0 111.594 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -39.65 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.616 -174.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -87.39 -9.51 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.507 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -87.03 -11.89 49.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -83.35 122.15 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.421 . . . . 0.0 110.646 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.57 ' SD ' ' HA ' ' A' ' 39' ' ' MET . 1.5 mtt -85.71 90.69 8.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ASP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 63' ' ' SER . 0.3 OUTLIER -62.24 123.31 17.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.408 -176.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.889 HG11 HD23 ' A' ' 36' ' ' LEU . 98.3 t -82.78 115.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.991 -169.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -88.29 128.19 35.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.697 173.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 672' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 34' ' ' PHE . 7.6 p -99.6 131.44 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.161 0.505 . . . . 0.0 110.428 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 3.5 mp -89.78 122.55 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.73 111.43 6.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.765 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.16 94.99 9.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.809 173.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.17 79.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.108 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -72.86 75.66 1.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.298 0.571 . . . . 0.0 110.505 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 164.46 -55.73 0.27 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.7 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 -41.93 25.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.662 0.268 . . . . 0.0 110.709 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.52 105.47 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.81 25.71 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -174.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -23.91 32.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 110.853 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.15 155.44 48.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.753 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 176.41 -171.66 44.64 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.948 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -146.66 121.74 1.49 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -119.7 -131.45 4.2 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.182 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 73.54 -159.52 53.2 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.55 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.56 82.15 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.43 . . . . 0.0 110.578 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 99.41 76.63 1.26 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -82.68 -25.43 50.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.555 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -118.14 137.25 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.343 . . . . 0.0 110.617 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -38.57 25.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.351 0.596 . . . . 0.0 109.711 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 148.98 131.15 1.96 Allowed Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.519 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.17 115.18 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.896 0.348 . . . . 0.0 110.593 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -76.24 69.87 2.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.203 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 143.23 87.62 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.94 13.79 13.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.851 0.358 . . . . 0.0 111.041 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.74 -34.33 13.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.57 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.442 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 51.45 -119.91 1.53 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.875 -177.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -109.98 137.75 47.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.198 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.23 137.98 40.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 130.57 44.5 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 -50.01 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -168.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -59.03 -58.47 14.4 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.795 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -71.57 -48.32 49.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.007 0.432 . . . . 0.0 110.014 175.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.76 29.76 3.01 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.852 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.59 -126.56 3.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.699 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 141.16 36.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' HB3' ' A' ' 44' ' ' HIS . 7.2 mt -73.35 108.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.255 0.55 . . . . 0.0 111.412 -174.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.3 19.43 14.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.523 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.2 -84.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.859 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -176.26 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' HD2' HG22 ' A' ' 672' ' ' VAL . 3.0 m-85 -98.38 132.44 43.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.073 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.55 144.95 28.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.424 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 HG11 ' A' ' 670' ' ' VAL . 5.8 mp -109.83 150.5 28.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.417 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -111.51 115.38 29.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.587 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -113.35 -100.01 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.649 0.261 . . . . 0.0 110.639 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.57 ' HA ' ' SD ' ' A' ' 668' ' ' MET . 1.7 ttm -58.44 -63.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 41' ' ' SER . 1.5 p-10 -171.82 -4.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.614 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.429 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -101.82 171.4 7.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.206 -177.393 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.31 132.49 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.108 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 5.2 m95 -125.91 153.99 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.44 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.784 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -109.4 -176.21 2.96 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 171.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.615 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 1.1 m -48.35 -46.31 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.667 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -93.13 -1.12 56.72 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.784 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -85.93 -52.14 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.847 -0.533 . . . . 0.0 110.257 178.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -73.44 89.21 1.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.201 178.757 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -134.31 144.54 48.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.692 177.464 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.84 133.46 56.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.793 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -76.78 -1.5 28.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -51.68 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 p -112.23 3.47 17.17 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.275 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.37 25.41 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.626 177.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -61.59 120.32 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.128 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -76.52 87.11 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -75.25 -13.11 60.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.685 -178.234 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.513 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . -62.12 -55.97 24.92 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.029 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 3.0 p-10 -84.76 14.02 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.281 -0.541 . . . . 0.0 111.446 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.63 -45.83 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 110.329 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.05 26.23 Favored Glycine 0 C--N 1.317 -0.518 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.212 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.53 123.88 26.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.861 ' HA ' HG23 ' A' ' 670' ' ' VAL . 22.9 m -68.96 109.23 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.022 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 160.95 28.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.888 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.642 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 42.9 m-85 -104.06 159.44 15.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -152.98 173.63 15.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.063 0.459 . . . . 0.0 111.585 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.83 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.086 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.6 43.18 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.082 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.38 -4.99 57.53 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.334 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.4 mtm -84.41 128.49 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.633 -0.334 . . . . 0.0 110.717 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.498 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.3 111.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.876 0.37 . . . . 0.0 110.035 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.554 HD12 ' HD1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.27 158.42 37.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 -177.077 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -73.11 175.78 6.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.532 . . . . 0.0 111.281 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.642 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -62.04 -31.71 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.539 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -83.15 -41.59 18.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.648 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.691 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -77.06 -38.24 52.99 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.635 -171.1 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' HD1' HD12 ' A' ' 72' ' ' LEU . 54.2 t80 -57.29 -42.94 82.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.303 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.96 -28.63 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 0.0 110.343 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -75.56 -36.77 60.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -81.07 -60.24 2.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.457 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -107.26 -101.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.683 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.695 -1.058 . . . . 0.0 111.69 -179.277 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.176 0.512 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 57.93 1.79 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -58.83 150.94 22.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.994 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.4 94.51 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.53 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -110.34 -12.57 14.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.268 0.556 . . . . 0.0 109.715 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -126.73 120.69 30.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -68.57 144.41 54.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.7 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.71 171.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.989 0.423 . . . . 0.0 111.318 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 40.0 t -151.49 149.36 29.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -67.6 -21.99 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.433 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.61 -23.73 65.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.593 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -87.53 -51.43 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.243 0.545 . . . . 0.0 109.978 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.49 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.2 OUTLIER -104.15 77.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.479 178.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -74.31 87.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.13 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -98.12 44.28 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.733 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.58 58.32 4.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.519 -176.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.435 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.6 OUTLIER -129.72 165.0 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.48 148.07 72.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.11 46.59 2.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.032 2.488 . . . . 0.0 112.967 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 78.03 54.46 4.46 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.425 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.09 69.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 111.186 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.23 -24.95 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.952 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 77' ' ' TYR . 54.7 mt -78.82 -4.51 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 42.1 m -70.36 -12.54 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 111.006 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.05 -23.16 55.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.048 0.451 . . . . 0.0 110.22 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' THR . 26.0 m-85 -102.35 10.64 38.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.223 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.473 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 12.0 mttt -86.39 151.26 23.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.157 -172.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.416 ' CE ' ' HG3' ' A' ' 39' ' ' MET . 0.0 OUTLIER -136.79 118.75 15.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.702 171.716 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.2 148.31 24.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.306 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 88.9 t -83.83 108.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.593 -172.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 127.56 35.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 172.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.79 139.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 35' ' ' LEU . 3.2 mp -112.51 132.93 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.125 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 5.9 t70 -84.17 86.38 7.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.95 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.36 69.41 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -9.82 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.235 0.541 . . . . 0.0 110.776 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.47 94.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.52 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 143.77 -31.71 1.87 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.352 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 5.6 m -79.9 -23.59 41.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 110.5 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 683' ' ' LEU . 0.8 OUTLIER -97.4 112.46 24.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.246 179.145 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -31.62 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -83.39 -26.28 30.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 680' ' ' GLN . 0.1 OUTLIER -135.58 76.27 1.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.915 -177.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.11 139.93 7.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.346 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 93.8 158.21 33.63 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.3 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -151.46 79.85 0.2 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.476 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 95.6 -6.3 67.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.225 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -10.0 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.904 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 73.21 -118.81 6.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.972 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -104.99 11.91 49.04 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.797 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 151.95 18.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.568 0.223 . . . . 0.0 110.667 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.18 58.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.437 0.637 . . . . 0.0 110.537 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -102.02 70.01 0.36 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.678 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.26 68.39 3.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.517 0.675 . . . . 0.0 109.597 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . 100.69 -24.71 31.03 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -173.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 158.03 167.6 19.17 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -9.61 58.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.076 0.465 . . . . 0.0 110.483 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -6.36 57.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.649 175.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 m0 54.8 -127.24 2.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.808 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -114.89 125.45 53.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 142.68 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.314 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.72 144.64 34.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.84 -52.91 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -64.13 -64.26 3.77 Favored Glycine 0 CA--C 1.516 0.108 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.784 -173.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -45.9 92.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.9 1.9 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.293 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.32 -113.53 1.22 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.71 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.24 144.82 26.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 35' ' ' LEU . 3.3 mt -63.93 108.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.52 0.676 . . . . 0.0 110.744 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.88 18.98 13.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 4.3 m-20 -75.97 -71.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 10.5 ttt85 177.92 -65.38 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.648 169.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.3 m-30 -96.09 137.47 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.765 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.08 146.06 25.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.264 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' HA2' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -120.66 170.47 9.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -178.397 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.3 OUTLIER -120.93 149.44 42.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 -177.395 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -140.59 -89.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.668 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.416 ' HG3' ' CE ' ' A' ' 668' ' ' MET . 0.0 OUTLIER -74.85 -80.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.482 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.36 3.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.32 169.59 9.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -96.93 126.97 42.45 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.538 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 16.0 m95 -121.65 179.18 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.034 0.445 . . . . 0.0 111.073 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.3 p80 -151.5 -175.55 5.24 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.38 67.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -4.11 54.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.75 -58.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.796 -179.349 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD11 ' HB2' ' A' ' 38' ' ' ALA . 3.7 mt -73.1 86.38 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 110.766 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -143.1 142.91 31.64 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.465 175.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 26.9 t -54.05 132.32 42.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.596 0.56 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.29 -14.88 61.87 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.244 -177.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.07 -52.09 3.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.43 -1.92 16.84 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.992 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 2.2 mt-30 59.74 37.99 21.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.6 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -67.83 124.17 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.97 79.84 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.256 0.551 . . . . 0.0 111.439 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -9.7 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.777 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . -71.09 -25.99 74.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.536 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.5 -35.46 9.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.079 0.942 . . . . 0.0 109.926 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.05 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.14 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.413 ' HA2' HG21 ' A' ' 670' ' ' VAL . . . -73.71 66.28 1.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.815 -171.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.39 148.47 24.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.11 110.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 0.0 111.275 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -177.92 5.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.885 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' ' HG3' ' A' ' 667' ' ' LYS . 90.5 m-85 -127.71 147.59 50.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.076 0.465 . . . . 0.0 111.541 -176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.505 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 1.2 t -135.69 173.6 11.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 176.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -163.27 -56.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.607 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -119.96 50.1 1.32 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.25 29.17 66.8 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.633 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.08 129.42 43.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -98.28 111.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.49 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 71' ' ' ILE . 1.3 mm? -121.51 163.51 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -75.62 -178.08 3.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -62.56 -39.04 92.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.846 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.467 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -79.47 -46.32 17.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.23 -176.632 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.585 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 1.5 m-20 -72.64 -23.14 60.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.866 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 663' ' ' LEU . 21.5 t80 -62.09 -43.14 99.47 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.203 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.463 ' H ' HG13 ' A' ' 78' ' ' ILE . 1.3 mt -71.33 -32.35 46.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -71.61 -36.69 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.671 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -80.94 -53.94 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -125.74 -76.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.105 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.411 -174.668 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.56 0.219 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.74 -6.53 8.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.63 20.47 10.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.109 0.481 . . . . 0.0 110.295 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -128.04 82.41 2.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -159.64 113.28 2.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -101.12 54.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -100.53 163.35 12.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.338 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.56 53.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.211 0.529 . . . . 0.0 110.003 177.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.76 63.17 1.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.256 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.85 78.81 1.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.408 0.623 . . . . 0.0 110.525 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -9.52 56.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.873 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.37 -27.45 61.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.448 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 653' ' ' ILE . 0.5 OUTLIER -98.52 72.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.447 0.642 . . . . 0.0 111.281 -177.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -97.79 53.53 1.11 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.75 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -84.71 -153.33 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.623 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 66.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.014 0.435 . . . . 0.0 111.137 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.27 -165.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 23.6 t70 -77.55 124.56 86.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.8 Cg_exo -68.0 -6.21 16.52 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.25 2.634 . . . . 0.0 113.012 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -99.14 -26.67 8.68 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.6 81.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.057 0.456 . . . . 0.0 110.179 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.46 138.34 34.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.763 173.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.406 HD22 ' HE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -102.36 40.08 1.41 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.734 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -59.43 -33.68 71.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.67 -177.073 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -8.79 57.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.53 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.04 -23.54 17.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.629 -176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.689 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -77.71 123.13 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 0.0 110.289 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 64' ' ' SER . 0.2 OUTLIER -80.74 144.6 32.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -177.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.0 105.31 12.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.402 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 4.2 t -85.32 95.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -90.41 110.33 21.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.788 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.62 122.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' LEU . 2.8 mp -90.37 129.65 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -81.28 110.41 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.126 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.65 62.7 2.0 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.134 0.492 . . . . 0.0 112.262 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.76 -40.65 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.201 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -75.95 121.14 22.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.618 0.723 . . . . 0.0 110.056 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 117.52 -32.3 5.43 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.374 -174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.6 -47.16 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.992 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -116.63 36.91 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.205 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 3.5 m -81.3 68.82 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.109 0.48 . . . . 0.0 110.996 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -5.69 26.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.194 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.482 ' H ' ' HG ' ' A' ' 683' ' ' LEU . 0.0 OUTLIER -81.56 103.1 11.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.824 -177.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -76.73 -36.35 37.53 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.65 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 62.33 -125.27 35.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.377 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.62 42.53 2.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 173.52 -151.72 14.05 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.144 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -26.67 9.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.833 0.349 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 155.94 155.15 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.092 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -85.03 62.82 4.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.296 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -129.09 107.02 9.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -27.18 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 0.0 110.146 176.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -176.08 -53.02 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.46 90.85 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.013 0.435 . . . . 0.0 110.433 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -108.04 150.23 16.91 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.661 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 98.85 -53.08 1.1 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.69 86.64 4.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 175.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' TRP . 0.9 OUTLIER -83.05 -35.46 25.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.777 -178.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 19' ' ' SER . 24.7 m95 75.31 135.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.774 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.56 134.75 54.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.674 170.418 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 127.79 35.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.776 -171.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HG13 ' A' ' 30' ' ' ILE . 49.2 m -73.13 154.96 40.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.177 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.49 -6.84 3.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.139 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.05 -42.18 0.86 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.307 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 2.6 p -102.85 -99.66 0.29 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 117.258 0.529 . . . . 0.0 111.878 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.601 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -92.79 -73.61 1.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.472 -174.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.557 ' CA ' ' HB2' ' A' ' 23' ' ' CYS . . . 171.98 -29.52 0.11 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.371 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -117.12 114.53 23.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.57 -0.37 . . . . 0.0 110.536 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.677 HG13 ' SG ' ' A' ' 23' ' ' CYS . 19.1 mt -71.38 108.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.185 0.517 . . . . 0.0 109.84 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.21 18.54 20.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.227 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.94 -179.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD3' ' HD1' ' A' ' 34' ' ' PHE . 1.7 tmt_? -89.76 -63.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.505 ' HD1' ' HD3' ' A' ' 33' ' ' ARG . 1.2 m-85 -100.57 130.8 46.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.84 150.19 23.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.12 -179.537 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.06 155.77 36.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.941 0.401 . . . . 0.0 110.815 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.0 OUTLIER -106.79 149.36 27.44 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.555 -179.646 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.01 -96.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 55.62 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.27 -177.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.18 22.5 7.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.205 0.602 . . . . 0.0 112.206 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -132.13 171.15 14.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.23 130.62 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 48' ' ' LEU . 1.9 m95 -131.8 171.3 13.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.453 0.644 . . . . 0.0 111.376 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.751 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -140.32 -162.97 1.43 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 171.079 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 1.5 m -58.8 -47.76 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.966 0.348 . . . . 0.0 111.78 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -10.98 59.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.751 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.19 -52.05 3.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.759 0.314 . . . . 0.0 110.728 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.89 77.69 9.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.11 0.481 . . . . 0.0 110.28 179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 154.35 44.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.578 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 49.8 t -60.16 127.21 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.446 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.36 -6.09 56.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.105 0.479 . . . . 0.0 110.206 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.615 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.59 -51.65 3.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.9 -176.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -113.04 -3.65 13.98 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.287 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 3.1 mm-40 64.97 41.96 4.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.333 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -86.81 123.04 31.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.777 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' SER . 15.2 mt-30 -65.34 94.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.075 0.464 . . . . 0.0 110.564 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 64' ' ' SER . 19.2 mt -79.94 -21.13 44.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.684 -177.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.17 -1.17 56.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.93 3.65 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.856 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.36 137.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.037 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.27 48.82 2.87 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.593 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 151.17 21.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.692 0.282 . . . . 0.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 103.49 2.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.4 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.657 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -79.7 153.41 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.736 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 89.6 m-85 -115.39 158.94 21.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -150.15 171.12 17.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -167.71 -67.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.115 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.04 34.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.243 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.39 2.74 80.7 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.173 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 35.3 mtm -101.74 151.77 21.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -91.35 123.57 43.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.394 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.615 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 4.0 mp -130.86 143.53 50.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.813 0.339 . . . . 0.0 110.786 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.782 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.3 p -73.36 170.24 15.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.342 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.565 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 29.0 mtp-105 -58.71 -45.54 89.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.37 -43.04 82.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.782 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.62 -45.13 69.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.114 -172.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 663' ' ' LEU . 26.0 t80 -58.16 -45.17 87.9 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.407 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.3 mt -74.43 -31.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -73.92 -25.25 59.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.822 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -95.23 -62.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.293 -179.267 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -107.39 -87.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.001 -174.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.816 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.075 -175.169 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.712 0.291 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 642' ' ' LEU . 5.5 mt 59.16 32.34 22.01 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.943 -177.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.77 -4.78 25.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.167 177.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -116.19 160.59 20.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.424 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.4 36.05 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.349 0.595 . . . . 0.0 110.925 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.44 -22.52 8.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.174 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -83.94 -8.51 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.15 94.13 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.51 153.98 42.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.27 30.52 15.73 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.509 0.506 . . . . 0.0 111.143 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -80.92 -17.54 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.819 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -68.42 -41.99 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.2 97.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.136 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.62 53.41 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.117 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -98.58 131.37 44.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.562 . . . . 0.0 110.493 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.15 113.29 23.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.116 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -15.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.394 0.616 . . . . 0.0 110.614 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.51 137.51 94.78 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.062 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.63 57.99 6.59 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.097 2.531 . . . . 0.0 112.946 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 85.58 63.82 1.53 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.617 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -88.22 -18.41 28.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 109.939 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.03 -150.39 0.34 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.0 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.585 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.4 mp -113.93 57.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.986 0.422 . . . . 0.0 110.089 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.98 88.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.134 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -77.88 -24.51 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.73 0.3 . . . . 0.0 111.504 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.585 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 29.3 m-85 -92.3 -3.75 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -65.54 123.29 19.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.109 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.16 85.46 3.47 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.22 113.77 6.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.271 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 17.0 t -84.43 115.74 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.491 -174.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.36 118.66 28.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -94.79 120.7 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.581 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.28 128.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.281 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 26.6 t70 -73.59 111.9 9.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.775 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.86 84.93 4.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.908 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -23.06 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 109.806 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 105.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.065 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 140.4 -44.05 1.08 Allowed Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.686 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.75 -40.98 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.37 . . . . 0.0 110.484 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -96.19 107.99 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.006 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -27.85 57.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -81.22 -24.04 37.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.324 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.76 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.268 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -124.42 -177.49 15.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.785 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -67.09 129.85 29.55 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.901 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -75.76 78.97 1.15 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.527 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -73.5 -28.6 65.29 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.031 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -42.45 1.56 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.72 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -156.88 -137.54 2.33 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.052 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 164.78 172.92 32.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.766 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.9 144.43 26.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.25 82.04 3.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 83.97 -78.21 2.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.297 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.49 135.61 34.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -129.88 48.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.413 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 136.23 127.32 2.64 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.26 -9.41 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.38 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -36.1 15.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.434 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.487 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 1.9 m0 57.41 -147.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.668 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.49 45.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 110.457 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 1.7 tpt180 -69.9 128.92 38.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.32 153.85 20.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 110.808 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.15 -61.56 1.69 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.33 -73.37 0.54 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.551 -0.357 . . . . 0.0 113.184 -172.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.01 64.1 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.84 39.84 4.25 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.036 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' O ' ' HD2' ' A' ' 22' ' ' ARG . . . -130.22 -113.3 1.59 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.999 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -145.86 142.28 28.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.904 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.2 mt -74.04 108.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 11.51 14.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.371 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 4.6 m-20 -66.54 -86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.195 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.83 -73.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -92.01 146.7 23.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.96 136.13 40.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.997 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.48 135.01 51.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.639 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -99.07 113.38 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.743 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.608 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -108.78 -106.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 172.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.8 ptp -84.56 56.17 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.278 0.561 . . . . 0.0 110.484 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.28 -10.26 0.93 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.909 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' HG ' ' HZ2' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -84.89 169.25 14.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.204 -0.31 . . . . 0.0 110.304 178.384 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -98.38 119.19 36.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 6.5 m95 -121.24 156.18 33.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.301 0.572 . . . . 0.0 111.41 -177.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.904 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -123.5 -171.75 2.37 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -34.99 78.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.368 0.531 . . . . 0.0 111.355 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 111.319 -179.168 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.76 -51.83 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 0.0 111.085 -178.202 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -77.39 71.02 3.85 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.219 -176.746 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.875 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.49 166.15 26.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.932 176.509 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.6 t -65.46 127.7 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -78.3 -2.33 37.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.228 0.537 . . . . 0.0 110.329 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.84 -30.78 9.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.813 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 93.8 m -103.49 -23.28 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 57.49 30.3 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.429 0.633 . . . . 0.0 110.163 -172.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.05 37.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.864 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -52.41 118.82 3.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.876 0.735 . . . . 0.0 111.431 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 1.1 mp -102.15 -21.24 14.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 -14.15 56.67 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.178 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -99.51 20.51 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.22 145.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.034 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.03 -13.19 83.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.626 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 122.84 19.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.284 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.12 128.08 34.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.105 -175.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.03 163.16 28.14 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.334 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.705 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 64.9 m-85 -127.1 161.32 28.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -175.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 t -152.83 171.11 18.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.573 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HD2' ' OH ' ' A' ' 77' ' ' TYR . 10.2 tttp -163.19 -70.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.3 51.37 1.09 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.294 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.74 28.01 72.77 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.023 175.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 mtm -122.01 129.67 52.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.375 0.588 . . . . 0.0 111.287 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.8 107.99 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' ' HB3' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -126.89 161.01 29.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.865 -177.267 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.8 p -82.39 -177.45 6.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.705 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 2.0 tmm_? -65.11 -38.2 89.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.756 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.45 -40.85 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -66.05 -42.88 88.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.839 -173.705 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.467 ' OH ' ' HD2' ' A' ' 67' ' ' LYS . 46.1 t80 -62.68 -46.19 89.32 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.952 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.21 -31.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.344 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -46.88 29.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -69.77 -57.18 5.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.093 -175.315 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 80' ' ' LEU . 99.2 m-85 -114.14 -107.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 0.0 111.322 -176.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.435 0 CA-C-O 117.889 -1.506 . . . . 0.0 110.716 -174.486 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 108.71 12.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -90.55 99.28 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.278 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -88.67 72.23 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.79 107.04 12.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.029 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -95.75 -16.08 22.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.385 0.612 . . . . 0.0 109.842 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.58 161.22 14.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.571 175.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.26 126.76 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.198 0.523 . . . . 0.0 110.626 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.28 52.68 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.771 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' PHE . . . . . 0.451 ' HB3' HG13 ' A' ' 653' ' ' ILE . 2.4 m-30 -106.73 89.8 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.397 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.8 -23.05 64.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.531 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -37.25 82.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.048 0.451 . . . . 0.0 109.964 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 650' ' ' PHE . 0.6 OUTLIER -118.53 58.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 0.0 109.897 175.488 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -68.59 -24.56 64.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.498 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.72 157.2 37.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.411 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 1.6 m -64.63 89.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.125 0.488 . . . . 0.0 111.186 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.6 OUTLIER -72.36 -3.68 4.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.369 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . 0.4 OUTLIER -65.61 122.87 82.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.763 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.94 81.53 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.132 2.555 . . . . 0.0 113.29 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 70.74 35.38 66.54 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.587 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 658' ' ' ASP . . . -86.86 -25.62 24.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 110.687 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.16 104.72 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.109 0.481 . . . . 0.0 110.535 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.76 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.7 mp -125.3 15.86 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.476 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -27.4 68.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.403 -177.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -38.8 27.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.259 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.76 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.0 m-85 -73.33 -13.9 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.541 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.76 124.1 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.445 0.64 . . . . 0.0 112.41 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.3 ttp -109.75 111.56 23.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.796 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 146.36 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.53 110.86 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -89.17 117.9 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.008 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.54 132.53 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.632 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -98.12 118.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -81.07 88.06 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.646 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 95.98 1.24 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.838 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -94.48 -7.36 41.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.794 0.807 . . . . 0.0 109.404 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -92.11 106.52 18.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.894 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.62 1.55 68.27 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.399 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -16.86 44.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 111.217 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.609 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 32.2 mt-30 -101.69 114.48 28.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.452 -176.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -35.47 25.45 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.359 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 7.72 43.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.028 0.442 . . . . 0.0 110.873 -177.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 1.4 mp -125.43 105.21 8.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 97.98 170.56 32.45 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.063 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 89.64 -61.68 3.47 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.46 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -84.21 147.75 23.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.051 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 97.45 -8.47 64.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.194 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.73 -29.0 36.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.825 0.345 . . . . 0.0 111.177 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 161.48 -172.77 37.76 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.268 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -76.69 -20.27 76.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.692 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -91.22 80.57 5.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.727 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 2.9 ttp -94.43 100.99 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -146.19 160.52 28.18 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.836 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 125.59 27.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.614 0.245 . . . . 0.0 110.743 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -93.24 -25.38 19.35 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.698 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -118.9 89.31 0.46 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -108.61 1.29 21.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.95 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 1.6 m0 56.04 -111.34 0.61 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.273 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 3.9 tptt -139.92 143.3 36.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.202 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 136.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.626 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 7.9 m -61.1 154.34 23.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.892 177.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.82 -27.21 8.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.366 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.53 -46.41 1.42 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.191 -0.528 . . . . 0.0 113.317 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HB2' ' H ' ' A' ' 27' ' ' GLY . 2.6 m -75.64 -90.58 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.211 0.505 . . . . 0.0 110.747 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.49 ' H ' ' HB2' ' A' ' 26' ' ' CYS . . . 150.96 64.36 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.642 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.626 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -177.99 -132.85 1.77 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -119.58 142.22 48.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.997 0.427 . . . . 0.0 110.153 174.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -67.73 109.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.28 28.8 4.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.059 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 3.3 m-20 -95.91 -178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.526 177.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -100.09 -53.26 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.75 123.42 44.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.683 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -100.55 150.95 22.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 178.396 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -115.65 144.24 44.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -93.84 146.92 23.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.803 172.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.46 -100.4 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.22 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttm -86.4 55.84 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.016 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.59 -9.24 1.22 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.357 0.663 . . . . 0.0 112.706 172.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 170.16 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.661 0.267 . . . . 0.0 110.689 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -93.41 118.95 31.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -120.9 160.89 22.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.753 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -122.88 -167.07 1.53 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 168.767 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.569 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -62.51 -28.09 69.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.716 0.293 . . . . 0.0 111.502 -178.126 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -22.56 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.753 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -86.78 -52.87 5.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.155 0.503 . . . . 0.0 109.8 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.14 87.0 5.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.218 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.96 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.33 174.76 10.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.012 176.182 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.62 132.82 42.07 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.427 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.35 -3.84 48.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 -50.65 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.866 -175.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.62 -8.5 13.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.591 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 66.07 26.23 10.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.635 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.52 150.65 48.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.362 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.23 105.99 1.23 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.258 0.551 . . . . 0.0 111.551 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.96 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 3.8 mp -102.54 -8.8 20.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.044 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -92.88 -57.86 1.37 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.529 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.41 -0.02 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.41 0.624 . . . . 0.0 111.247 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mm -126.52 136.15 61.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.184 -0.917 . . . . 0.0 108.982 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.76 3.42 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.671 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.88 115.68 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 114.5 5.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.61 167.37 12.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.897 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.781 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 78.1 m-85 -131.21 149.19 52.68 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 t -123.53 175.33 6.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.025 0.441 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -166.83 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 31.95 5.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.756 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.16 27.27 70.46 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 136.95 49.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.89 113.99 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.639 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' HD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -134.88 153.37 52.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.962 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -76.21 173.32 11.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.781 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -61.44 -34.52 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.926 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -82.58 -33.12 28.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.066 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.683 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -82.19 -37.94 25.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.922 -174.104 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HD1' HD13 ' A' ' 72' ' ' LEU . 60.3 t80 -55.06 -41.66 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt -67.9 -35.6 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 111.2 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -38.8 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -66.74 -58.34 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.2 -177.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.7 -67.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.907 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.168 -1.351 . . . . 0.0 110.98 -173.623 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 641' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 642' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 641' ' ' SER . 0.4 OUTLIER 70.64 -72.69 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.322 0.649 . . . . 0.0 111.682 178.495 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.75 96.82 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.263 0.554 . . . . 0.0 110.761 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.04 73.77 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.34 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.83 147.69 24.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.646 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -106.77 -57.91 2.0 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.707 0.289 . . . . 0.0 111.05 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.2 114.82 27.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.478 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.36 167.0 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.767 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.81 136.15 35.42 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.47 80.36 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 0.0 111.328 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -70.14 -15.56 62.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.917 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.62 -49.56 52.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.597 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.87 102.7 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.81 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -124.58 111.85 16.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.165 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -99.44 102.55 14.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 0.0 110.443 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.92 55.89 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.951 -177.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.402 ' HB ' ' H ' ' A' ' 658' ' ' ASP . 0.5 OUTLIER -137.24 -158.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.385 178.564 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 661' ' ' ALA . 6.9 t70 -96.24 110.91 54.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.314 176.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.27 -13.89 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.531 2.154 . . . . 0.0 112.46 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -102.75 7.66 53.5 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.132 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -71.81 -16.5 62.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.205 0.526 . . . . 0.0 110.65 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -92.49 15.41 14.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.52 0.676 . . . . 0.0 110.175 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 13.4 mt -125.78 49.97 1.89 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.248 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.773 ' HA ' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -52.8 -53.89 41.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.619 -174.428 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.84 -10.07 59.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.634 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 89.5 m-85 -92.78 -22.23 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.86 -173.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.773 ' HE3' ' HA ' ' A' ' 664' ' ' SER . 0.1 OUTLIER -86.26 128.77 34.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.165 0.507 . . . . 0.0 110.735 -179.048 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 17.2 ptp -95.19 140.28 30.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.021 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -84.1 117.13 23.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 13.4 t -84.48 94.59 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.971 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.83 103.19 15.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.31 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.21 124.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.29 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.587 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -84.89 124.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 0.0 110.53 -176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 7.1 t70 -78.1 98.58 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.75 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 117.96 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.89 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -4.44 55.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.092 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -176.24 3.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.693 0.758 . . . . 0.0 112.087 -169.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.04 -4.74 74.46 Favored Glycine 0 C--N 1.318 -0.431 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.277 -175.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.29 -3.0 41.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.71 52.34 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -45.9 92.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.292 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -83.52 -19.7 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.72 -17.36 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 142.16 55.68 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.058 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -109.88 87.17 0.46 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.94 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 164.0 177.84 37.08 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.922 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -157.62 -150.57 5.76 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.02 69.62 5.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 110.721 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 72.02 -120.09 7.75 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -86.48 -8.74 76.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.594 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.96 79.54 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 110.631 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 4.9 ttp -100.46 129.03 46.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.087 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -167.85 101.45 0.18 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.105 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.81 75.3 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.382 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -65.41 156.23 48.7 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.612 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 96.97 -36.91 3.64 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.632 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 143.7 30.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.954 0.407 . . . . 0.0 110.479 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.75 -22.41 14.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.988 176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m-90 62.32 -84.19 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.912 0.757 . . . . 0.0 111.056 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 2.9 mmtm -133.59 124.8 27.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.355 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.24 115.63 30.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.967 0.413 . . . . 0.0 110.996 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 156.54 37.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.38 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.38 -7.55 59.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.87 -86.93 1.24 Allowed Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.004 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 10.6 p -70.18 -31.93 69.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.674 0.273 . . . . 0.0 110.77 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.68 90.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.659 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.91 -91.77 0.43 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.582 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -166.72 145.44 5.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.448 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 44' ' ' HIS . 80.9 mt -74.16 108.82 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.437 0.637 . . . . 0.0 110.925 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.54 19.25 20.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.676 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -89.39 175.25 7.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.885 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.9 -54.36 4.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.6 m-85 -100.98 132.11 46.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 673' ' ' ILE . 0.3 OUTLIER -100.4 147.94 25.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 173.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.616 HD13 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -126.99 156.33 41.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.965 0.412 . . . . 0.0 111.399 -172.232 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.7 OUTLIER -103.31 150.2 23.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.639 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' ' 668' ' ' MET . . . -132.43 -79.6 0.5 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.277 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -98.5 -67.19 0.86 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.348 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -149.47 -1.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.424 . . . . 0.0 110.86 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.55 166.56 10.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.578 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.96 124.8 50.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.495 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -119.91 174.8 6.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.404 0.621 . . . . 0.0 111.413 -173.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.632 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -127.84 -179.03 4.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.391 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -62.38 -24.09 67.18 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -11.33 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.632 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -100.57 -53.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.715 0.293 . . . . 0.0 111.144 -178.632 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.48 83.91 4.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 110.735 -178.216 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 168.41 19.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.582 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 28.0 t -65.76 132.33 48.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.364 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -79.53 -6.31 56.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.036 0.446 . . . . 0.0 110.485 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -103.83 -51.72 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.974 -178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.6 p -112.21 -0.64 15.46 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.525 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 12.9 mm100 66.19 30.09 9.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.355 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.582 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -67.86 123.64 21.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.38 75.77 0.55 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 64' ' ' SER . 11.4 mt -64.81 -21.14 66.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.9 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -80.81 -18.62 69.78 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.376 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -101.09 10.21 41.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.668 0.747 . . . . 0.0 110.637 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 3.3 mt -135.47 150.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.526 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.07 49.47 1.83 Allowed Glycine 0 C--N 1.317 -0.484 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.957 173.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -93.61 132.86 37.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.846 0.355 . . . . 0.0 111.47 -175.384 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.89 85.62 3.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.038 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -70.54 141.81 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 666' ' ' TYR . 79.0 m-85 -114.08 160.2 19.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.685 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -152.1 157.08 41.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.1 0.476 . . . . 0.0 111.259 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -71.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.738 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.52 18.96 0.39 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.603 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.07 76.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.199 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.1 mtm -102.12 139.1 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.615 -0.344 . . . . 0.0 110.302 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.99 123.71 37.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.7 mp -134.61 148.95 50.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.492 0.187 . . . . 0.0 110.538 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 25.9 p -72.81 168.8 18.1 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.99 0.424 . . . . 0.0 110.513 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -61.5 -36.41 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.786 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -41.08 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.745 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.608 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -70.75 -48.71 53.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.193 -175.11 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 26.5 t80 -58.99 -47.59 84.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.582 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -40.57 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -69.96 -42.83 72.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.021 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -76.56 -62.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.823 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 34.7 m-85 -101.42 -71.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.827 -173.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.907 0 CA-C-O 118.977 -0.902 . . . . 0.0 111.666 -173.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.962 0.41 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.6 54.22 0.78 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 110.752 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -78.0 70.88 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -93.62 5.64 50.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.376 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -124.76 171.4 10.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -88.67 162.88 16.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.816 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.43 107.24 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.5 111.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.444 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.229 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -83.64 153.74 24.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 654' ' ' GLN . 0.0 OUTLIER -86.28 -29.64 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -55.98 -50.41 70.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.601 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.434 ' O ' ' HD1' ' A' ' 655' ' ' TRP . 0.2 OUTLIER -104.94 74.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 174.487 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 654' ' ' GLN . . . . . 0.604 ' HG2' ' HA ' ' A' ' 651' ' ' GLU . 1.9 mm-40 -79.01 59.94 2.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 110.479 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' TRP . . . . . 0.434 ' HD1' ' O ' ' A' ' 653' ' ' ILE . 5.5 p-90 -100.06 149.26 23.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.844 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.1 166.66 10.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.1 mm -76.76 106.94 7.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.008 0.432 . . . . 0.0 110.316 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 0.8 OUTLIER -68.24 130.04 92.6 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.502 177.238 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.4 Cg_exo -67.62 68.67 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.203 2.602 . . . . 0.0 113.106 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.13 91.53 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.018 175.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -76.12 -61.18 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.761 0.315 . . . . 0.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -103.04 -172.27 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.934 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 77' ' ' TYR . 7.5 mt -103.77 24.79 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.609 . . . . 0.0 110.194 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.55 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -60.11 -27.08 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.839 -178.655 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -83.09 -19.11 37.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -90.74 -20.71 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.11 0.481 . . . . 0.0 110.138 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -78.5 141.17 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.23 178.714 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.584 ' SD ' ' HG3' ' A' ' 39' ' ' MET . 1.2 mtm -89.7 124.41 34.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.24 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 111.24 6.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.408 . . . . 0.0 109.928 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 5.0 t -83.53 107.54 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.426 -170.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.3 m -89.94 112.76 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.406 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.53 113.35 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.651 0.262 . . . . 0.0 110.392 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 35' ' ' LEU . 3.0 mp -84.81 125.62 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.397 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.509 ' OD2' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -92.03 117.8 30.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.735 0.779 . . . . 0.0 110.325 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 69.2 10.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.79 -174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.509 ' HG2' ' OD2' ' A' ' 674' ' ' ASP . 0.0 OUTLIER -75.46 -19.47 59.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 178.169 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -85.62 -178.35 6.63 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.236 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 84.49 -53.55 4.84 Favored Glycine 0 C--N 1.314 -0.655 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -1.29 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.401 0.28 . . . . 0.0 111.566 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -88.89 37.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.099 0.476 . . . . 0.0 111.042 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -21.47 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.757 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -11.65 59.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.794 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 683' ' ' LEU . 0.0 OUTLIER -80.9 -54.11 5.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.297 178.244 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 88.87 -82.52 1.49 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.912 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 120.17 142.48 6.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.364 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -69.23 104.31 1.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.014 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 104.3 -1.72 43.45 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.777 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 1.4 m -103.47 69.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.241 0.543 . . . . 0.0 110.338 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -112.31 16.51 24.6 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.304 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -108.39 -134.56 7.28 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.595 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -125.04 134.57 52.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.726 0.298 . . . . 0.0 110.389 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 82.26 5.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -63.9 139.6 43.03 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.868 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.86 100.31 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -85.19 82.12 1.7 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 106.32 108.2 3.28 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.42 13.88 2.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 111.447 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -29.88 14.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.158 175.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 40.97 -101.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.162 0.913 . . . . 0.0 110.999 -175.023 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 6.4 mmtm -108.48 95.16 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.4 134.1 45.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.902 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.733 ' HB3' HG13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -89.89 154.18 20.06 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -175.006 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.54 -59.32 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -167.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.15 -65.04 3.32 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.193 -171.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -38.36 89.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.11 20.1 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.563 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.87 -146.73 9.13 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 1.4 mppt? -113.1 133.0 55.22 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.733 HG13 ' HB3' ' A' ' 23' ' ' CYS . 8.0 mt -68.16 105.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.3 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.05 11.97 27.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.588 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -176.72 6.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.004 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -63.73 1.27 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.683 0.278 . . . . 0.0 111.103 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.7 m-85 -97.34 125.27 41.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 111.308 -173.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.678 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.71 144.07 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.988 176.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -109.45 141.08 42.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.15 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -103.79 102.56 12.39 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.729 173.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -101.68 -96.83 0.28 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.584 ' HG3' ' SD ' ' A' ' 668' ' ' MET . 8.6 mtt -64.68 -50.01 68.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.629 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 172.75 -14.61 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.694 0.759 . . . . 0.0 109.158 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.93 171.09 11.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.369 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -92.82 116.2 28.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.528 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 10.3 m95 -113.29 173.01 6.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.271 0.558 . . . . 0.0 110.746 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.3 p80 -135.98 -175.78 4.09 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.649 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -55.52 -45.38 77.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.744 0.247 . . . . 0.0 111.582 -178.182 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.753 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -81.67 -6.62 59.19 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -175.211 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.98 -47.09 7.77 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.858 -0.526 . . . . 0.0 110.328 177.323 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 38' ' ' ALA . 4.5 mt -76.46 73.87 3.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.925 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 151.9 45.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.124 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.1 t -61.1 135.89 57.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -0.55 30.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.159 0.504 . . . . 0.0 110.506 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.9 -34.04 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 85.5 m -92.45 -35.4 13.67 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.71 0.29 . . . . 0.0 110.745 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 19.67 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.161 -169.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.26 130.24 35.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.804 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.753 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.81 108.98 10.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -176.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.41 -1.3 57.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.25 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -61.67 -25.16 65.12 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.948 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -99.95 12.42 36.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.353 0.597 . . . . 0.0 110.864 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -117.11 140.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.207 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.94 13.83 35.38 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.944 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.73 124.94 42.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.723 0.297 . . . . 0.0 110.236 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HG3' ' A' ' 667' ' ' LYS . 1.1 m -79.96 130.32 35.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.451 . . . . 0.0 111.171 -175.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.24 172.56 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 177.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.773 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 77.4 m-85 -115.04 157.52 23.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 159.37 42.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' H ' ' A' ' 68' ' ' SER . 2.7 tttm -159.55 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.775 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -81.38 60.28 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.588 -177.289 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.47 28.46 71.23 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.234 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.7 mtm -139.06 139.43 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.706 0.253 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.74 112.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.448 . . . . 0.0 109.814 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.56 155.91 27.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.634 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.863 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -68.94 176.31 3.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.812 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.773 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -59.88 -48.02 83.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.815 -178.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.15 -39.8 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.863 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.55 -42.57 74.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.857 -175.025 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.681 ' HE2' HD22 ' A' ' 663' ' ' LEU . 32.3 t80 -58.47 -46.19 87.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.701 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 32.7 mt -65.46 -37.27 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.024 0.44 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.099 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.97 -56.43 3.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.428 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -118.1 -71.19 0.75 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -175.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.649 -1.084 . . . . 0.0 111.743 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.942 0.401 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 5.4 tp -114.96 86.55 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.148 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.59 135.66 53.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.617 -176.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 30.5 t30 57.16 40.05 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.825 -1.08 . . . . 0.0 112.281 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -109.82 -77.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 54.12 48.49 20.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.632 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -73.0 108.75 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.617 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.62 119.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.266 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.71 85.04 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -12.74 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.5 -176.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.77 -12.77 47.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -68.15 -44.68 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.456 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.449 HG13 ' H ' ' A' ' 653' ' ' ILE . 0.0 OUTLIER -81.7 93.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.269 177.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -102.84 89.82 3.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.895 0.378 . . . . 0.0 110.751 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -69.37 120.03 14.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.6 49.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.035 0.445 . . . . 0.0 111.143 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.2 pt -133.65 -158.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.14 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 108.75 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.44 76.1 4.39 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.443 2.762 . . . . 0.0 113.31 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.92 55.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.05 173.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -90.08 -9.4 48.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 171.42 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.16 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 78' ' ' ILE . 2.5 mt -82.29 8.3 11.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.911 ' HA ' ' HG3' ' A' ' 667' ' ' LYS . 70.1 m -66.77 -21.71 66.05 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.234 -0.291 . . . . 0.0 111.441 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -23.06 56.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -100.86 10.02 41.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.725 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.911 ' HG3' ' HA ' ' A' ' 664' ' ' SER . 0.9 OUTLIER -72.8 136.08 45.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.39 0.614 . . . . 0.0 111.433 -176.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.409 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 26.4 ttp -117.59 120.05 36.88 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.258 172.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.83 126.59 39.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.231 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -84.27 118.14 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.693 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 140.52 29.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.71 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.61 119.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.679 0.276 . . . . 0.0 110.966 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.662 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.79 127.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.58 110.72 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.844 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.38 70.1 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -47.23 72.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.534 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' ASP . . . . . 0.459 ' HA ' ' HG3' ' A' ' 680' ' ' GLN . 1.7 t0 -83.2 24.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.46 0.648 . . . . 0.0 111.883 -173.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -97.88 -27.21 9.09 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.021 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -19.18 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.321 . . . . 0.0 111.064 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.459 ' HG3' ' HA ' ' A' ' 677' ' ' ASP . 2.6 pt20 -118.93 -47.73 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.621 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 55.4 m 57.86 43.76 21.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.814 0.816 . . . . 0.0 110.001 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.26 -19.37 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.416 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.79 -42.59 14.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.659 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -175.8 -63.27 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.027 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 66.27 -107.28 1.9 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -175.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -107.64 -95.83 2.42 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 83.79 91.23 0.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.708 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 36.9 m -137.61 130.6 30.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -78.5 -34.54 35.47 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.351 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -83.69 -101.31 0.55 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.646 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.46 149.98 49.7 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 4.5 ttp -82.58 62.56 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.191 0.519 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -117.27 98.32 0.78 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.41 176.14 5.46 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -97.18 147.06 18.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.809 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 64.17 -104.88 0.97 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.932 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -146.17 140.61 26.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -89.46 -31.4 17.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.251 -175.63 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.525 ' CH2' ' HE2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -113.41 -125.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -175.046 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 9.0 mmtt -121.28 140.64 51.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.512 . . . . 0.0 111.803 -173.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.71 138.61 31.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' HB3' HG13 ' A' ' 30' ' ' ILE . 8.3 p -91.77 154.8 18.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.092 0.472 . . . . 0.0 112.257 -171.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.523 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -68.91 -71.24 1.0 Allowed Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.399 -0.429 . . . . 0.0 113.476 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.09 -42.84 69.8 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 110.725 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.99 40.11 7.2 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.831 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.89 -78.23 0.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.816 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -176.35 143.32 0.5 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 44' ' ' HIS . 14.4 mt -73.02 109.11 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.113 0.482 . . . . 0.0 110.476 178.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 35.16 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.665 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.594 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -90.89 -111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.388 176.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -155.8 -67.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.229 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -96.05 145.3 25.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.576 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 5.8 mp -93.43 139.11 31.06 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 -177.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -107.95 123.01 48.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.08 109.03 20.27 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.705 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -132.35 131.54 42.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.0 mtm 67.95 -61.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 124.106 0.878 . . . . 0.0 111.311 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -171.14 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.567 0.347 . . . . 0.0 110.601 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.63 169.82 8.4 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.794 0.33 . . . . 0.0 111.385 -171.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' HB2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -99.68 117.1 33.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.586 177.76 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m95 -113.84 172.91 6.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.149 0.5 . . . . 0.0 110.935 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.8 p80 -131.94 -173.75 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -53.64 -46.26 70.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.047 0.385 . . . . 0.0 112.028 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.53 -6.89 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.926 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -99.85 -49.18 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.197 177.347 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -77.8 69.29 4.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.317 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -143.39 157.47 44.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.805 177.112 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 26.6 p -72.28 145.97 47.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.884 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -9.65 59.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -176.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.16 -47.47 6.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 -9.24 14.68 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.615 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER 64.83 40.27 5.61 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.56 -176.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 57' ' ' LEU . . . -77.35 106.43 9.1 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 1.1 mm100 -62.12 90.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 110.865 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' ' 73' ' ' CYS . 4.0 mt -68.67 -16.56 63.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 -11.54 66.1 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.242 175.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.19 -6.55 27.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.311 1.053 . . . . 0.0 109.625 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 57' ' ' LEU . 21.8 mt -106.32 109.21 27.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.616 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.55 -4.34 84.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.346 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.71 157.24 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' HD2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -59.75 117.04 4.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.46 -176.744 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.73 172.99 7.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.74 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -126.45 158.3 36.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.634 0.254 . . . . 0.0 110.767 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -152.59 170.92 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.354 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HE2' ' OH ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -161.2 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -83.03 34.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.955 -175.805 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.2 71.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.525 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.04 143.06 46.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.695 0.283 . . . . 0.0 110.328 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 0.6 OUTLIER -102.01 108.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.624 178.677 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.759 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.7 OUTLIER -123.43 156.72 34.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.666 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.773 ' HA ' HD21 ' A' ' 57' ' ' LEU . 28.3 p -75.3 174.6 9.31 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.02 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -57.75 -38.24 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -29.85 31.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.714 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.759 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.44 -51.6 28.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -174.568 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' OH ' ' HE2' ' A' ' 67' ' ' LYS . 46.2 t80 -55.57 -43.9 76.34 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.45 0.469 . . . . 0.0 111.16 -175.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 663' ' ' LEU . 12.5 mm -62.02 -39.64 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.822 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 79' ' ' ARG . 9.5 ttp85 -76.42 -40.39 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.112 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD23 ' CE1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -72.11 -56.31 5.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -178.148 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 80' ' ' LEU . 73.6 m-85 -119.75 -80.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.022 0.439 . . . . 0.0 110.485 -177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 CA-C-O 118.615 -1.103 . . . . 0.0 111.109 -176.1 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.613 0.244 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.598 HD12 ' HG3' ' A' ' 643' ' ' GLN . 0.1 OUTLIER -78.9 -37.4 40.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.37 . . . . 0.0 110.7 179.674 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 643' ' ' GLN . . . . . 0.598 ' HG3' HD12 ' A' ' 642' ' ' LEU . 0.0 OUTLIER -84.13 85.95 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.14 -179.409 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -141.03 131.03 24.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -127.18 142.76 51.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -2.07 12.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.17 0.509 . . . . 0.0 110.625 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -100.62 45.52 0.97 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.638 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 648' ' ' VAL . 2.2 t -58.49 -60.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.634 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.16 147.36 49.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.979 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -91.27 -10.74 40.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.159 0.504 . . . . 0.0 110.318 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.832 ' HA ' ' HG2' ' A' ' 654' ' ' GLN . 3.8 mp0 -67.28 -20.68 65.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -32.02 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.17 41.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.55 0.691 . . . . 0.0 110.576 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' GLN . . . . . 0.832 ' HG2' ' HA ' ' A' ' 651' ' ' GLU . 17.7 mm-40 -84.59 -15.86 44.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.221 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -79.33 152.98 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.132 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 10.2 m -85.75 106.9 17.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 0.0 111.754 -172.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 657' ' ' ILE . 3.0 mm -73.32 139.01 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.727 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 12.3 t70 -66.26 115.74 26.64 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.421 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 10.2 Cg_endo -90.26 29.01 0.41 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.52 2.814 . . . . 0.0 112.181 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 95.01 31.54 7.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.748 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.9 76.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 0.0 109.519 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 663' ' ' LEU . 8.5 t0 -127.36 169.46 13.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.635 173.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.667 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 3.6 mp 72.03 5.74 5.4 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.785 0.678 . . . . 0.0 110.587 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -35.66 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.959 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -83.9 -9.57 58.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.307 0.575 . . . . 0.0 110.473 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.667 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.1 m-30 -93.32 -17.43 23.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 145.34 37.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 111.767 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.451 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 19.8 ptp -103.41 152.82 21.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.75 117.49 29.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.424 HG11 ' HA2' ' A' ' 58' ' ' GLY . 3.3 t -83.74 95.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.357 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -97.18 144.26 27.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.55 129.37 75.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.11 122.99 38.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.134 0.492 . . . . 0.0 110.287 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.28 77.93 4.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.966 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.37 66.89 8.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -87.85 -5.03 58.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.49 . . . . 0.0 110.608 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.22 88.1 5.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.071 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 157.78 -30.27 0.5 Allowed Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -18.83 49.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 174.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.92 118.41 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.712 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 25.05 7.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 110.772 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 0.73 47.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.484 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 683' ' ' LEU . 0.0 OUTLIER -94.38 74.18 3.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.143 -179.166 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.76 42.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.702 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -80.05 99.62 1.81 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.808 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -76.98 -15.64 81.49 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.006 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -159.61 -156.77 8.24 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.905 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -37.69 69.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.211 0.529 . . . . 0.0 110.515 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 99.23 54.99 1.06 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -151.0 -32.8 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.415 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -135.0 103.11 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.783 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.02 176.63 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.982 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 118.65 67.06 0.32 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.25 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.02 99.44 2.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 0.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -96.64 -173.27 35.02 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.229 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 74.29 48.43 14.64 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.328 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 2.19 7.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.429 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -29.43 27.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 49.68 -97.97 0.05 OUTLIER 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.232 -174.636 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -138.56 138.51 38.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.291 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.11 130.15 44.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB3' HG13 ' A' ' 30' ' ' ILE . 19.7 p -82.34 154.77 25.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.123 0.487 . . . . 0.0 111.545 -175.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.75 -21.93 24.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.67 -169.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -79.73 1.02 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.19 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 111.334 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 44.1 1.94 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.059 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 174.01 21.58 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -71.63 126.63 30.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.36 0.58 . . . . 0.0 109.531 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' LYS . 4.9 mt -65.75 108.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.213 0.53 . . . . 0.0 110.884 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.11 15.08 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.69 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 155.96 27.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.753 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 3.3 ttp180 -72.99 -55.34 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.306 -177.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.753 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 4.5 m-85 -100.86 121.89 42.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.969 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 151.5 19.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.641 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.94 163.04 18.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.984 0.421 . . . . 0.0 111.457 -175.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -117.21 148.98 41.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.625 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -137.18 -74.64 0.42 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 mtm -91.15 -76.77 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.326 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -151.02 -0.02 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.015 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.3 168.04 12.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.404 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -103.39 123.02 46.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.5 m95 -118.65 -179.89 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 0.0 111.179 -174.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.8 p80 -145.93 -171.48 3.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.717 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -50.19 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -77.49 -11.73 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -102.18 -43.03 5.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.038 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -76.85 71.44 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.466 0.65 . . . . 0.0 110.522 -176.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.2 164.46 30.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.654 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 48.8 t -60.62 131.78 51.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.479 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -78.7 -7.16 57.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.142 0.496 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.492 ' HB3' ' CG ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -98.37 -51.76 3.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.668 -176.109 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.46 -4.67 13.55 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.681 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 6.2 mm100 66.91 37.54 3.94 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.422 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -91.64 133.89 35.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.75 126.44 29.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.0 110.994 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 64' ' ' SER . 2.9 mt -105.57 1.24 27.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.064 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' HG11 ' A' ' 670' ' ' VAL . . . -92.1 -52.96 2.12 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.604 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.5 8.15 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.44 0.638 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.88 143.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.897 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.65 39.87 1.32 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.142 -0.552 . . . . 0.0 113.612 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.22 126.28 47.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.767 0.284 . . . . 0.0 110.661 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 119.79 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.711 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.73 135.43 38.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.403 . . . . 0.0 110.653 179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.846 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 72.9 m-85 -112.62 152.57 28.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.14 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -142.81 178.24 7.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 0.0 111.158 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 7.1 tttp -164.73 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.248 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.02 39.39 1.8 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.637 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.92 -25.1 3.61 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 116.02 -0.537 . . . . 0.0 113.265 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttm -68.31 137.57 54.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.14 122.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.908 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.6 mp -133.7 156.66 47.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.722 0.296 . . . . 0.0 110.924 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.0 p -76.95 176.35 8.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.147 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.846 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 6.7 ttt85 -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -45.37 22.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -69.37 -39.98 77.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.496 -175.664 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -62.84 -42.77 99.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.361 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.6 -33.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.503 . . . . 0.0 110.284 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 ttm105 -69.87 -39.56 76.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.418 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -83.53 -60.45 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.82 -176.425 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.419 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 30.4 m-85 -119.99 -92.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.881 0.372 . . . . 0.0 110.938 -175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.704 -1.053 . . . . 0.0 111.623 -177.303 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.0 62.67 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.244 0.545 . . . . 0.0 111.433 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.71 99.14 11.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -68.66 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -162.7 137.02 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.379 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.71 85.24 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -47.76 122.2 4.73 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.63 125.69 74.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.281 -172.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.22 125.08 38.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 167.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' PHE . . . . . 0.597 ' HB2' ' OD1' ' A' ' 652' ' ' ASN . 7.9 m-85 -85.88 172.47 10.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.626 0.25 . . . . 0.0 110.878 -175.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.41 -14.79 58.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' ASN . . . . . 0.597 ' OD1' ' HB2' ' A' ' 650' ' ' PHE . 1.7 p30 -77.24 -34.01 55.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.998 0.428 . . . . 0.0 110.283 177.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.489 HG13 ' OD1' ' A' ' 652' ' ' ASN . 0.9 OUTLIER -90.69 62.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.262 0.554 . . . . 0.0 111.036 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -87.83 84.58 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' TRP . . . . . 0.58 ' HB2' HG12 ' A' ' 657' ' ' ILE . 0.0 OUTLIER -67.41 134.99 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.634 -176.041 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.28 37.08 1.11 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.698 175.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.58 HG12 ' HB2' ' A' ' 655' ' ' TRP . 2.0 pt -76.47 179.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.328 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.503 ' HB3' ' HB2' ' A' ' 661' ' ' ALA . 10.1 t70 -100.19 116.92 64.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.63 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.22 -5.36 13.57 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.265 2.644 . . . . 0.0 113.043 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -120.2 15.14 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.005 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.503 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -90.52 -25.0 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 111.442 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -98.0 118.71 35.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.622 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.507 HD11 HG12 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -106.04 -10.68 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.4 ' HA ' ' CD ' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -67.82 -34.74 77.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 -174.236 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -23.84 67.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.166 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.15 8.42 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.702 -175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 664' ' ' SER . 1.0 OUTLIER -81.28 123.9 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.756 0.313 . . . . 0.0 110.741 179.297 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.448 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 10.1 ptp -90.82 153.33 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.545 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -99.58 113.15 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.976 0.417 . . . . 0.0 110.653 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.2 t -84.76 94.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -89.87 110.45 21.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 177.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.82 122.03 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.65 HD13 HD12 ' A' ' 35' ' ' LEU . 3.6 mp -96.36 123.12 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 4.9 m-20 -79.67 102.25 8.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.042 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.85 114.54 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.556 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 -34.59 19.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.578 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.35 59.78 2.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -152.96 -42.34 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.187 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -14.74 58.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 0.0 110.912 177.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.95 91.02 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.29 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -17.89 54.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.329 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -10.88 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 108.0 2.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 127.12 -20.53 5.92 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.755 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -132.09 52.47 0.83 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.402 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -99.58 66.74 0.61 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.305 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 151.44 -162.19 29.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.646 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.62 -164.02 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 87.02 -56.51 4.62 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.043 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -153.93 -162.85 11.39 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.636 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.1 98.16 4.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.884 0.374 . . . . 0.0 110.555 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -47.9 74.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.501 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 71.65 -162.53 54.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.679 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.92 134.4 37.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -85.01 53.22 4.79 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.498 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 138.7 100.46 0.5 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.931 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.0 17.57 10.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.275 0.559 . . . . 0.0 110.525 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.194 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER 50.51 -113.33 0.67 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.914 -177.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -119.93 136.54 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.374 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.8 tpt180 -92.27 144.95 24.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.7 t -90.98 154.66 19.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.85 16.29 15.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.218 0.532 . . . . 0.0 110.51 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.0 -54.95 0.52 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.275 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 p -94.91 -95.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.506 0.653 . . . . 0.0 110.802 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.39 77.3 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.14 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.1 -152.16 23.71 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.272 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -100.42 157.56 16.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.563 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 35' ' ' LEU . 13.3 mt -73.49 109.4 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.78 10.69 28.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -82.45 11.4 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.486 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER 72.43 -68.52 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.092 -176.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.9 m-85 -93.66 126.55 38.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.155 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.09 147.64 25.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.169 179.326 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.9 164.27 20.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.618 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -116.85 150.0 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.108 178.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -136.51 -86.82 0.33 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.136 176.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -83.34 -79.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.24 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -137.68 -7.33 1.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.44 170.26 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.687 -169.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.407 ' HB3' HD11 ' A' ' 30' ' ' ILE . 28.9 m-85 -89.64 137.3 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.844 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.58 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 22.0 m95 -134.27 179.5 6.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.015 0.436 . . . . 0.0 110.684 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -145.66 174.26 11.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.535 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -49.3 21.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.59 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -172.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 49' ' ' LYS . 1.2 m -101.6 -32.79 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -75.67 68.08 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.628 0.727 . . . . 0.0 109.844 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -131.56 162.76 29.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.209 -177.312 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 40.7 t -63.19 132.11 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.219 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -75.06 -9.37 58.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.126 0.488 . . . . 0.0 110.453 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 -51.3 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.06 0.25 14.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.453 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 66.75 20.94 10.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.214 177.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.02 117.1 7.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.44 0.162 . . . . 0.0 110.568 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 58.8 mt-30 -75.12 86.11 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -74.85 -22.57 58.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.237 -176.495 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.45 -14.06 71.58 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.683 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -98.25 8.67 44.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.489 0.661 . . . . 0.0 110.216 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 57' ' ' LEU . 14.9 mt -117.18 -58.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.356 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 -19.84 11.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.143 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.87 143.48 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.49 118.44 8.14 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.455 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.584 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -81.69 179.7 7.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.972 172.548 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' HE1' ' HB3' ' A' ' 74' ' ' ARG . 92.3 m-85 -124.84 166.48 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.71 0.29 . . . . 0.0 110.754 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 t -158.05 175.09 14.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -167.3 -65.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.806 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.26 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.95 -24.29 2.87 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.257 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtm -78.2 141.14 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.633 -0.333 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' HE1' ' A' ' 668' ' ' MET . 0.5 OUTLIER -89.79 123.63 42.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 177.026 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 76' ' ' ASP . 4.6 mp -130.23 149.06 52.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.75 0.309 . . . . 0.0 110.557 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.7 p -71.39 170.56 12.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.585 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.593 ' HB3' ' HE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.26 -29.81 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.76 -45.56 24.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.724 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.603 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -74.55 -38.19 62.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.077 -172.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.69 -43.58 90.05 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.145 -176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.507 HG12 HD11 ' A' ' 663' ' ' LEU . 13.3 mt -70.76 -32.26 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.161 0.505 . . . . 0.0 110.695 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -72.66 -38.19 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.454 178.42 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -81.71 -62.59 1.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.779 -177.078 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.28 -80.91 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.482 -172.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.727 -1.04 . . . . 0.0 110.674 -171.296 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.15 -26.86 22.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.619 0.723 . . . . 0.0 109.623 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -81.88 86.35 6.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.367 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -69.04 90.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.703 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -68.9 134.98 50.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.65 75.89 0.25 Allowed 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.723 0.639 . . . . 0.0 109.758 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.16 74.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.049 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.39 -31.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.627 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.56 85.0 2.06 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.151 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.85 118.25 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.636 -176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.97 -15.77 35.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.668 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.03 -35.12 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.308 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.94 136.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.654 0.264 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -132.49 44.0 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' TRP . . . . . 0.525 ' HB3' HG23 ' A' ' 657' ' ' ILE . 12.1 m95 -74.02 154.12 39.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.848 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.13 56.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.05 0.452 . . . . 0.0 110.541 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.563 HD13 ' H ' ' A' ' 657' ' ' ILE . 0.2 OUTLIER -112.5 -170.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -178.641 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 9.5 t0 -63.69 122.74 78.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.129 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 22.1 Cg_exo -65.61 -13.53 40.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.011 2.474 . . . . 0.0 112.62 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 124.21 25.32 1.67 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.909 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.41 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.47 68.24 0.73 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.638 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.635 HD22 ' HE2' ' A' ' 77' ' ' TYR . 23.1 mt -103.19 15.45 29.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.926 -178.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' SER . . . . . 0.471 ' HA ' ' HD2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -64.89 -29.83 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.633 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.93 -28.43 62.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.512 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 663' ' ' LEU . 5.0 m-85 -93.14 -10.14 36.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 7.7 mttt -65.73 121.32 14.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 16.6 ptp -91.3 123.12 34.5 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.198 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.78 114.42 16.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.026 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 11.5 t -83.77 94.99 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 109.674 178.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 106.65 18.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.731 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' VAL . . . . . 0.592 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -85.6 115.28 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.811 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mp -84.94 122.55 38.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.672 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.628 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 1.2 t70 -73.06 95.32 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 131.43 42.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.171 -175.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -25.11 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.955 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 107.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.671 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 120.62 -45.71 1.2 Allowed Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.622 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -48.27 14.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -93.2 43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.235 0.54 . . . . 0.0 110.0 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 907' ' ' MET . 0.0 OUTLIER -60.3 -34.07 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.285 -177.356 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.07 -32.44 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.865 -177.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 -19.39 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.871 0.367 . . . . 0.0 111.5 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -78.36 7.21 47.95 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.398 -176.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -73.61 102.26 1.27 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.046 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -77.19 82.6 1.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.588 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 144.21 -154.04 25.44 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.786 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.25 82.85 2.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.921 0.391 . . . . 0.0 110.387 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -160.65 -66.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.246 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -132.52 -135.89 3.72 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.966 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -135.35 174.36 10.7 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 907' ' ' MET . . . . . 0.481 ' HB3' ' HA ' ' A' ' 681' ' ' SER . 8.9 tpt -84.3 77.27 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.894 0.378 . . . . 0.0 110.554 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -81.55 82.49 1.57 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 909' ' ' SER . . . . . 0.494 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -61.98 100.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.217 0.532 . . . . 0.0 111.845 -177.306 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -147.49 -58.56 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.47 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -103.42 -3.47 47.28 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 1.6 mt -68.54 174.69 3.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.576 0.227 . . . . 0.0 110.651 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -39.29 9.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -174.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.562 ' HZ3' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER 56.71 -108.76 0.45 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.729 0.643 . . . . 0.0 110.955 -178.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -122.3 130.97 53.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 135.47 50.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.17 135.92 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -44.76 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -164.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -69.06 -65.01 2.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.552 -175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -31.73 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.514 0.197 . . . . 0.0 111.16 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.83 44.97 5.29 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.57 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.88 -116.48 1.63 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.861 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.7 OUTLIER -145.98 143.95 29.8 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.271 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.5 mt -75.96 106.44 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.27 0.557 . . . . 0.0 110.351 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' HZ3' ' A' ' 20' ' ' TRP . . . -122.24 14.46 10.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.418 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.9 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.039 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -165.91 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.856 173.656 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 3.8 m-85 -101.31 148.89 24.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.468 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 4.0 mp -95.81 126.46 41.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.666 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 672' ' ' VAL . 0.4 OUTLIER -113.49 135.34 54.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.038 0.447 . . . . 0.0 110.819 -178.489 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -92.12 149.15 21.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.159 176.139 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -135.57 -50.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 110.697 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -133.39 -73.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.27 -8.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.232 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.52 167.7 10.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.695 -175.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.58 129.07 47.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.686 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -125.39 169.06 12.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.389 0.614 . . . . 0.0 111.034 -176.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -123.79 -171.41 2.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 170.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.512 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -62.18 -37.57 85.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.129 0.422 . . . . 0.0 111.396 -175.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -14.01 58.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.744 -177.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.83 -52.3 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.689 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 1.2 mt -78.58 83.9 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.393 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.49 157.71 45.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.469 179.129 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 51.9 t -62.18 131.19 48.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m -69.23 -11.29 60.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.999 0.428 . . . . 0.0 110.177 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -41.75 5.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.06 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 64.7 m -84.19 -34.82 23.89 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 56.1 mm-40 66.69 13.22 9.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.42 -167.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.93 35.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.392 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.847 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -68.51 95.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.176 -174.611 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 19.5 mt -65.97 -21.08 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.218 0.532 . . . . 0.0 109.965 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -77.31 -13.1 83.94 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.162 175.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -100.04 -5.63 27.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.387 0.613 . . . . 0.0 110.336 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.08 104.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.36 47.27 2.01 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.173 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 129.43 49.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 113.25 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 112.018 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -178.89 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.694 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 79.5 m-85 -131.71 154.8 48.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.439 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 5.0 t -139.96 159.49 42.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.738 173.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -161.15 -63.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.027 0.441 . . . . 0.0 110.656 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.23 13.73 3.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.768 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.26 61.93 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.292 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -113.44 145.04 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.611 0.243 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.17 108.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 161.07 30.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.877 0.37 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.4 p -72.47 176.25 5.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.243 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.66 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -65.88 -33.49 75.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.566 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -80.06 -45.37 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.676 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -65.06 -36.71 85.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.22 -176.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.635 ' HE2' HD22 ' A' ' 663' ' ' LEU . 28.3 t80 -63.69 -44.35 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.228 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.27 -39.59 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.013 0.435 . . . . 0.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.1 -38.72 89.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.485 177.096 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 1.1 mp -75.85 -52.48 10.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.306 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 64.3 m-85 -126.89 -79.73 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.921 0.391 . . . . 0.0 111.232 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.258 -1.301 . . . . 0.0 111.05 -174.84 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.662 0.268 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.06 66.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.053 0.454 . . . . 0.0 111.027 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.42 74.87 9.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.982 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.97 85.65 2.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.175 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -140.44 106.21 5.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -137.07 46.46 2.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.406 0.622 . . . . 0.0 109.916 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -68.5 119.1 12.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 135.11 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.338 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.48 127.75 33.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.259 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 650' ' ' PHE . . . . . 0.545 ' HB2' HD12 ' A' ' 653' ' ' ILE . 28.6 m-85 -112.6 164.13 13.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.445 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.72 -37.49 82.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.877 0.37 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.73 -24.41 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.087 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 650' ' ' PHE . 1.3 mt -115.09 74.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.968 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -102.0 90.15 3.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 -176.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -99.71 -163.03 0.99 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.5 89.88 0.97 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 111.025 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.29 162.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.486 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 11.7 t70 -74.09 123.3 89.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.354 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.4 Cg_exo -67.61 -12.28 35.05 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.035 2.49 . . . . 0.0 112.534 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -117.25 33.57 4.95 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.733 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.17 -25.92 67.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.038 0.447 . . . . 0.0 110.827 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -94.86 117.74 30.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.378 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' LEU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER -80.01 61.19 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.683 -178.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -41.98 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.024 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -17.66 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.477 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' TYR . . . . . 0.748 ' HD2' ' HB3' ' A' ' 663' ' ' LEU . 51.1 m-85 -100.43 -5.18 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.351 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 12.5 mttp -69.57 117.99 11.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.806 -177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.88 136.69 42.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.632 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.58 138.59 36.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.004 0.43 . . . . 0.0 110.438 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.32 95.0 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.16 112.02 22.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.843 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -89.34 134.82 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.42 133.3 59.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.642 0.258 . . . . 0.0 110.761 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 9.1 t70 -74.8 118.82 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.986 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 675' ' ' THR . . . . . 0.443 HG23 HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -91.82 17.96 8.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.157 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' OD1' ' A' ' 674' ' ' ASP . 1.2 ttmt -75.17 -32.96 61.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.193 -0.317 . . . . 0.0 111.645 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.76 17.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.678 0.752 . . . . 0.0 112.142 -174.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -115.0 -31.51 2.06 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.031 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -1.57 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.48 -177.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.518 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 1.6 mm-40 -78.01 70.94 4.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -22.41 33.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.254 174.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -90.67 -33.22 15.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.595 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 683' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 0.1 OUTLIER -72.96 120.31 18.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.043 178.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 113.33 -7.13 24.83 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' GLY . . . . . 0.539 ' HA2' ' HA3' ' A' ' 905' ' ' GLY . . . -135.41 46.08 1.06 Allowed Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -80.15 64.21 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.362 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 155.63 -163.5 31.7 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 1.5 m -87.6 109.6 19.77 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.974 0.387 . . . . 0.0 110.6 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 114.45 47.23 0.59 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.211 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 905' ' ' GLY . . . . . 0.539 ' HA3' ' HA2' ' A' ' 685' ' ' GLY . . . -150.52 30.77 1.04 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.381 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -83.0 78.66 9.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.338 0.59 . . . . 0.0 109.999 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -89.88 -36.03 15.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.878 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 71.72 -178.01 36.68 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.068 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.09 94.18 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.813 0.339 . . . . 0.0 110.385 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -69.88 -35.65 72.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.82 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.95 63.53 4.04 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.934 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.6 mt -75.51 -4.53 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -1.39 56.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.471 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 51.11 -113.92 0.75 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.057 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HG3' HD22 ' A' ' 35' ' ' LEU . 39.7 mmtt -122.29 131.05 53.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 126.43 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.67 154.04 26.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.38 -5.42 20.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.76 -55.8 1.96 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.501 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 p -96.48 -26.09 15.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.934 0.367 . . . . 0.0 110.709 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.57 2.81 58.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.746 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.03 -159.64 23.47 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -99.88 151.64 21.06 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 44' ' ' HIS . 21.7 mt -67.2 108.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.422 -178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.29 25.96 8.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 1.2 t0 -90.49 -169.18 2.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.021 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -70.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 4.2 m-85 -102.97 143.57 32.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.968 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 21' ' ' LYS . 1.5 pp -100.5 149.78 23.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.37 162.88 22.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.92 149.39 31.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.173 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -143.03 -98.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.447 ' HG2' ' H ' ' A' ' 39' ' ' MET . 3.6 ptp -84.1 52.85 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.423 0.63 . . . . 0.0 110.058 175.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.89 27.85 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.964 178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.36 9.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.3 m-85 -88.11 131.99 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 17.8 m95 -134.65 165.51 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.26 0.552 . . . . 0.0 111.608 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.811 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.7 167.94 20.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 172.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -29.69 34.63 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -172.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -41.6 73.64 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -98.37 -31.39 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.514 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -76.69 69.69 3.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.576 0.703 . . . . 0.0 109.955 177.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -145.38 165.5 28.31 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.342 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 51.0 t -60.75 134.27 56.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.915 174.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -8.86 59.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.529 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.39 -46.0 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.326 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -109.47 -13.46 14.57 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.067 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 68.62 22.08 7.7 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.258 174.647 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.68 127.68 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 2.4 mp0 -59.77 97.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.428 0.455 . . . . 0.0 111.34 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -64.8 -23.33 67.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -176.75 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.9 -28.45 66.83 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.583 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -92.1 6.44 46.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.916 -177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.2 mt -120.52 -54.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.27 23.24 22.63 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.185 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 127.32 32.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.337 -0.432 . . . . 0.0 111.317 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.41 96.71 0.08 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.25 165.38 24.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.765 -176.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 81.7 m-85 -123.09 153.77 39.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.149 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -136.21 162.65 32.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 666' ' ' TYR . 15.2 tttp -160.69 -78.48 0.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.59 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 33.73 0.59 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.165 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.77 17.17 80.07 Favored Glycine 0 C--N 1.329 0.189 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.07 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -178.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.18 115.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.984 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.529 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 2.9 mp -131.63 148.73 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.752 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 24.1 p -74.61 173.43 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.79 -46.23 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.225 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.78 -44.96 60.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.677 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -68.01 -37.65 81.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.869 -172.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 33.4 t80 -59.89 -44.0 94.46 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.741 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.23 -36.41 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -67.62 -44.61 77.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.24 -62.15 1.77 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.98 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 63.3 m-85 -107.07 -90.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 -173.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.789 -1.006 . . . . 0.0 111.461 -176.527 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.091 0.472 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.49 70.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.647 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -72.45 -26.04 61.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.824 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -97.12 -6.62 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -77.73 149.22 34.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.108 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.71 152.89 38.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.101 174.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.3 116.5 31.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.26 94.17 3.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.628 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 3.2 m -88.31 113.42 23.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.144 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . 0.572 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -90.67 106.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.091 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.552 ' HB ' ' HG ' ' A' ' 35' ' ' LEU . 1.8 mp -84.95 123.61 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.045 0.45 . . . . 0.0 110.233 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -87.61 138.15 31.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 110.718 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.891 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.417 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.236 0.355 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 42' ' ' TYR . 10.1 mmtt -120.54 124.02 44.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -79.78 130.81 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.48 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.58 147.14 26.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.92 2.4 40.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.82 -55.94 1.27 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.654 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.54 -18.47 21.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.186 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.27 72.24 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.177 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.51 -140.07 11.21 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.843 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 148.49 38.15 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 48.3 mt -76.84 109.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.109 0.481 . . . . 0.0 110.445 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.58 14.36 23.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.389 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.57 175.49 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.449 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' HD1' ' A' ' 34' ' ' PHE . 8.1 tpt85 -76.69 -68.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 110.522 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' HD2' HG12 ' A' ' 672' ' ' VAL . 3.3 m-85 -101.86 123.69 46.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.465 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' HB ' ' A' ' 673' ' ' ILE . 1.3 pp -98.66 147.03 25.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.27 161.08 21.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.546 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.628 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -110.32 140.14 44.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.895 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.61 123.27 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.672 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 69.5 -72.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.969 0.793 . . . . 0.0 110.706 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -166.13 -2.1 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.715 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.17 170.01 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.989 -0.444 . . . . 0.0 111.394 -174.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 21' ' ' LYS . 14.2 m-85 -93.01 135.32 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.174 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 38' ' ' ALA . 3.8 m95 -137.63 179.05 6.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.236 0.541 . . . . 0.0 111.139 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -147.87 -178.32 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -54.81 10.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -77.76 -20.87 52.64 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -170.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 19.7 m -96.64 -36.04 10.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.181 0.446 . . . . 0.0 111.274 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.85 87.18 5.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -144.47 176.06 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.805 -178.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.9 t -71.91 137.61 47.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.484 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -79.52 -4.74 52.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.191 0.519 . . . . 0.0 110.227 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.25 -37.48 5.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.757 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 96.7 m -90.77 -34.96 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.201 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.41 9.53 6.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.554 -170.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.95 122.28 22.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.395 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.615 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 27.8 mt-30 -54.95 102.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.732 0.645 . . . . 0.0 111.156 -176.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.517 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -69.07 -22.88 63.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.285 -177.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -10.48 85.71 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.86 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.43 3.34 43.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.479 0.657 . . . . 0.0 110.133 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.01 -46.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.782 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.2 22.0 31.06 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.616 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.13 127.31 32.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.322 . . . . 0.0 111.302 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.42 88.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.988 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.52 171.39 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.578 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' HE1' ' HG3' ' A' ' 74' ' ' ARG . 89.3 m-85 -131.31 170.75 14.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.009 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 t -146.02 179.61 7.36 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.932 0.396 . . . . 0.0 110.652 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -166.19 -63.89 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.8 36.65 2.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.231 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.02 -24.62 8.75 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.062 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.82 138.51 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.558 0.218 . . . . 0.0 110.65 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.41 108.97 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.987 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -118.87 149.61 41.26 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -178.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 29.9 p -65.01 170.07 4.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG3' ' HE1' ' A' ' 65' ' ' TYR . 7.8 ttp180 -49.69 -49.48 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.689 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -78.91 -33.78 45.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.215 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.858 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -67.2 -38.61 85.63 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.5 -43.64 89.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.849 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.476 ' H ' HG13 ' A' ' 78' ' ' ILE . 2.3 mt -68.12 -35.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.627 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -36.59 60.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.853 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -83.12 -61.02 1.97 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.981 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.13 -91.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.357 -1.246 . . . . 0.0 111.356 -175.351 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -43.66 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.335 0.588 . . . . 0.0 110.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.75 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.227 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -81.51 -3.41 53.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.312 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.47 146.83 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.208 0.528 . . . . 0.0 111.348 -176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -137.28 125.41 23.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.964 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.31 145.4 27.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.042 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.8 t -92.02 106.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.333 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.649 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -88.72 109.06 19.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.06 118.66 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.261 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.546 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -89.4 125.99 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.302 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.05 118.48 30.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.572 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.923 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -110.29 145.88 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.889 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 139.05 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.46 155.7 16.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.838 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.27 -2.68 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.92 -47.58 2.44 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.966 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 p -99.26 -46.85 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.84 6.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.015 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.02 -146.64 20.63 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.222 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -92.91 145.27 24.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.684 HD12 ' HB3' ' A' ' 21' ' ' LYS . 95.7 mt -76.28 108.52 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.788 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.85 15.03 29.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.438 0.637 . . . . 0.0 110.23 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.5 175.06 11.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.32 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -65.0 1.06 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.546 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -101.94 126.25 48.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.282 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.12 148.62 22.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.44 145.21 51.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.976 0.417 . . . . 0.0 111.384 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.649 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -91.78 131.35 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.403 173.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -119.55 -84.18 0.66 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.073 0.463 . . . . 0.0 110.671 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtt -85.41 -47.48 9.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.894 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 41' ' ' SER . 6.3 p-10 -178.59 -15.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 -173.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -103.37 171.01 7.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.687 -177.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -91.36 131.52 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 5.1 m95 -130.67 174.82 9.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.335 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -137.4 170.67 15.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -38.09 17.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -171.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -35.46 63.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -174.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 58.7 m -97.22 -32.45 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.535 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -75.13 73.34 2.27 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 109.876 178.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 1.5 mtmt -143.86 178.6 7.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.928 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 19.5 t -68.83 139.72 55.22 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.122 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -11.47 59.67 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.107 0.48 . . . . 0.0 110.11 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -52.54 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.716 -176.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.51 -12.96 13.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.043 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.35 31.03 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.449 175.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' LYS . . . -67.01 148.17 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.743 ' HB3' ' HB2' ' A' ' 59' ' ' ASP . 6.0 mm100 -63.7 88.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.121 0.263 . . . . 0.0 111.357 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 2.0 mp -72.56 -22.33 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.21 0.43 78.4 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -101.98 12.74 36.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.307 0.575 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.21 139.63 32.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.994 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.86 28.72 4.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.337 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.23 130.17 46.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.618 0.247 . . . . 0.0 110.632 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 137.03 56.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.488 . . . . 0.0 111.516 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -176.54 3.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.808 177.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.622 ' HE2' ' HB3' ' A' ' 74' ' ' ARG . 54.6 m-85 -129.85 162.44 28.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 110.655 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -148.77 174.51 12.12 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.363 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HE1' ' A' ' 77' ' ' TYR . 15.8 tttp -158.2 -67.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.479 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.45 38.67 0.98 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.351 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.33 29.03 73.89 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.934 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.0 136.07 53.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.469 0.176 . . . . 0.0 110.838 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.468 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -78.96 108.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.451 176.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.77 150.63 51.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.115 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 22.9 p -73.28 164.62 26.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.08 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.622 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.52 -38.04 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.515 -178.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -72.03 -44.15 63.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.142 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.668 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.5 OUTLIER -73.48 -37.23 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.62 -174.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 67' ' ' LYS . 22.7 t80 -57.84 -47.19 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.645 0.26 . . . . 0.0 110.97 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.87 -29.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.132 0.492 . . . . 0.0 110.847 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -74.94 -32.31 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.854 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.87 -50.27 6.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -114.18 -95.33 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.064 0.459 . . . . 0.0 110.947 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.038 -175.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.492 0.663 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.7 -21.7 60.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.951 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.62 -18.77 43.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.164 0.507 . . . . 0.0 110.18 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.448 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 50.0 m-85 -90.35 -5.18 56.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.193 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.84 154.77 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.016 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 147.22 42.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.276 175.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -76.51 111.39 11.94 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.254 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t -87.06 96.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.081 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.2 m -87.64 103.36 15.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.974 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.47 116.1 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.58 128.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 10.0 t70 -71.22 100.46 2.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.911 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.739 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.8 m0 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.736 0.303 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -142.78 134.66 26.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 129.54 34.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.028 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.546 ' HB3' HG13 ' A' ' 30' ' ' ILE . 29.3 p -101.95 154.82 18.6 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.273 0.558 . . . . 0.0 111.716 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.87 -45.98 19.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.824 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -63.87 4.2 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.368 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.07 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.488 . . . . 0.0 110.27 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 23.84 27.38 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.69 -138.78 4.74 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -116.08 139.85 49.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 21' ' ' LYS . 25.9 mt -66.63 107.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.184 0.516 . . . . 0.0 110.507 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.41 16.04 25.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.16 -171.89 2.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.78 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -88.85 -70.72 0.63 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.234 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -100.23 126.39 46.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.945 0.402 . . . . 0.0 111.397 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.38 149.43 24.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.444 176.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 149.44 49.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -91.62 138.78 31.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.526 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.94 121.89 6.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.125 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER 72.68 -64.23 0.4 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.067 0.854 . . . . 0.0 111.293 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -165.34 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.547 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.7 170.56 8.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.007 0.432 . . . . 0.0 111.724 -171.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.13 127.15 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.484 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.685 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -128.38 171.57 11.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.256 0.551 . . . . 0.0 110.901 177.385 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.732 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.0 p80 -131.31 -172.42 2.84 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -45.59 69.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -7.08 55.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.732 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.42 -57.83 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 43' ' ' TRP . 16.5 tp -75.2 93.21 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.707 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.755 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -144.78 166.64 24.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.07 177.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 t -66.92 127.97 34.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.817 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 0.92 26.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.506 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -102.34 -51.66 3.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.79 -177.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -110.59 -6.32 14.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.385 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.99 15.78 4.5 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.556 0.535 . . . . 0.0 111.83 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -64.6 122.53 17.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.755 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 11.4 mm-40 -61.63 120.67 11.05 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.45 0.469 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.83 14.04 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.248 0.547 . . . . 0.0 110.915 -174.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.45 -49.52 4.13 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.817 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.66 70.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.776 0.322 . . . . 0.0 111.145 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.41 ' HB ' ' H ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -124.91 -102.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.428 . . . . 0.0 111.682 -178.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 157.8 -51.55 0.41 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.83 132.2 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 154.13 41.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.268 0.556 . . . . 0.0 112.25 -175.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.81 160.71 27.25 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.546 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -127.13 159.53 33.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.239 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -144.73 158.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 111.012 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -164.51 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.795 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.72 18.76 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.252 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.25 23.87 77.04 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.22 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.7 mtm -130.91 147.59 52.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.82 113.21 21.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 5.0 mp -122.64 144.62 49.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.144 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 16.9 p -73.96 164.6 26.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.039 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -50.59 -45.13 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.647 178.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.05 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.13 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.523 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -80.32 -47.54 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.815 -175.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -59.48 -50.57 73.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.556 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.6 -33.92 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.076 0.465 . . . . 0.0 111.026 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 79' ' ' ARG . 14.4 ttm105 -73.84 -45.99 47.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.3 -51.58 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.89 -100.52 0.43 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -175.563 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -69.78 -27.76 65.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.545 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.8 -25.2 63.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.48 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -100.1 -0.89 38.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.419 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.654 ' HD3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -74.49 132.57 42.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.139 -175.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.508 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 2.0 mtm -102.1 85.38 2.66 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.257 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.57 118.69 16.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.089 0.471 . . . . 0.0 110.735 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.1 t -84.62 124.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.688 -173.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 138.91 35.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.79 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.62 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 2.2 mp -107.76 123.27 63.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.49 123.23 28.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.531 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.189 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.559 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 2.1 m0 . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -122.74 123.19 40.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.985 177.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.55 128.24 34.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.333 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 p -93.91 154.75 17.53 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.685 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 -44.25 10.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -170.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -69.82 1.28 Allowed Glycine 0 C--N 1.328 0.129 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.831 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -46.27 90.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 0.0 110.363 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.36 36.14 5.24 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.72 -117.55 2.25 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.97 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -140.44 137.61 34.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.779 0.323 . . . . 0.0 110.308 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.983 HG23 ' HB3' ' A' ' 44' ' ' HIS . 5.7 mt -72.17 108.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.383 0.611 . . . . 0.0 110.691 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.44 21.34 17.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.096 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.531 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -87.8 5.54 39.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.066 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.6 -63.7 0.42 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.707 0.629 . . . . 0.0 110.462 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.17 127.97 47.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -97.29 159.46 14.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.92 134.98 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.822 -176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -100.59 103.39 14.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 177.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -107.4 -110.37 0.3 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 39' ' ' MET . 0.7 OUTLIER -78.69 65.33 3.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.253 . . . . 0.0 111.537 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 74.59 -16.98 0.5 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.57 171.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.35 170.61 8.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -91.42 130.66 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.573 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 11.1 m95 -132.21 168.87 17.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.251 0.548 . . . . 0.0 111.208 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.983 ' HB3' HG23 ' A' ' 30' ' ' ILE . 1.4 p80 -135.56 -169.73 2.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 174.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.679 ' HB3' ' HG3' ' A' ' 56' ' ' GLN . 53.7 m -70.15 -17.6 63.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.167 0.439 . . . . 0.0 111.676 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.8 mtm-85 -100.25 -7.63 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.688 0.28 . . . . 0.0 111.034 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.688 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -100.78 -55.6 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.845 0.355 . . . . 0.0 110.049 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -76.23 77.76 3.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.982 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -144.56 161.08 40.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.139 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.7 t -65.89 132.42 48.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.709 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 m -70.16 -9.45 55.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.185 0.517 . . . . 0.0 110.498 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 -47.16 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.05 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 94.5 m -80.42 -35.62 34.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.517 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.9 mm100 63.04 26.5 15.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 -174.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.65 154.88 17.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.922 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 45' ' ' SER . 3.9 mp0 -65.05 97.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 111.212 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.8 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -77.75 -20.3 53.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.419 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.64 -17.18 71.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.155 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.07 38.27 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 111.52 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.09 143.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.318 . . . . 0.0 110.77 176.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.64 94.93 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.787 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 118.28 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.654 ' HB2' ' HD3' ' A' ' 667' ' ' LYS . 1.2 m -73.05 161.54 30.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.042 0.449 . . . . 0.0 111.394 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.33 169.08 18.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 98.0 m-85 -129.71 156.86 43.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.175 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 t -143.13 168.98 18.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -166.66 -60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.34 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.41 20.64 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.441 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 24.04 66.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.78 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 25.3 mtm -115.99 151.54 35.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.37 109.04 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.948 0.404 . . . . 0.0 110.311 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -131.5 156.0 46.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.931 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -72.01 170.97 12.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -62.42 -25.43 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.761 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -82.28 -47.8 11.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.485 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -65.61 -42.5 91.5 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.467 -175.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.7 -47.79 84.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.805 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.603 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 64.3 mt -69.29 -37.73 76.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.479 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 79' ' ' ARG . 3.5 ttp-105 -64.14 -41.93 97.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.567 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -63.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.82 -64.09 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.603 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -1.151 . . . . 0.0 111.842 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.849 0.356 . . . . 0.0 111.336 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -53.32 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.109 0.48 . . . . 0.0 110.738 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . 0.412 ' H ' ' HG2' ' A' ' 665' ' ' GLN . 4.5 mm-40 -71.81 -15.37 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.81 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 3.3 m-30 -86.97 -14.25 42.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -73.22 123.74 24.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.552 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 12.5 ptp -87.04 106.0 17.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.25 111.93 3.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.238 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.14 94.82 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.314 0.578 . . . . 0.0 110.761 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -92.02 113.58 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.327 178.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . 0.453 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -87.68 137.71 20.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.947 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mp -110.26 132.64 58.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 7.5 t70 -70.14 93.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 2.1 m . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.116 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -118.93 154.96 32.15 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -125.49 119.03 27.11 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 -172.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 4.8 p -88.87 154.88 19.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.29 7.13 45.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -104.47 -81.86 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.659 -175.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 15.7 p -82.17 -105.11 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.584 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -79.79 -16.23 77.7 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.135 -171.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 23' ' ' CYS . . . 77.76 12.34 84.55 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.827 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -142.16 102.48 4.12 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' LYS . 63.0 mt -76.35 107.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.454 0.645 . . . . 0.0 110.998 -175.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.08 18.79 21.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.854 171.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -83.08 -177.9 6.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.257 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.673 ' O ' ' HA ' ' A' ' 675' ' ' THR . 0.0 OUTLIER -82.25 -72.21 0.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -101.78 153.2 20.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.828 -174.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.947 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 10.9 mt -100.17 157.59 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.085 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 48' ' ' LEU . 12.1 mt -137.3 135.14 36.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.704 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.6 OUTLIER -97.51 142.32 29.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.581 174.651 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -127.24 -77.73 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.083 0.468 . . . . 0.0 110.276 176.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -100.38 -47.96 4.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.31 -22.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.269 -175.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.9 164.47 13.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 111.37 -172.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 13.8 m-85 -83.48 127.3 33.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.545 173.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.482 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 12.7 m95 -128.01 -178.88 4.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.242 0.544 . . . . 0.0 110.399 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.7 p80 -145.75 178.21 8.33 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -31.37 67.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.82 -18.63 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -100.22 -40.66 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.238 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.07 65.54 5.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.635 0.731 . . . . 0.0 110.563 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 164.1 20.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.064 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 43.5 t -62.1 139.87 58.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.784 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.51 -8.0 59.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.559 176.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.41 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -113.99 -51.84 2.76 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.782 -176.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.32 -22.61 19.62 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 67.43 30.85 6.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.277 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.44 141.35 28.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -73.64 82.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.935 0.398 . . . . 0.0 110.445 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD21 ' SG ' ' A' ' 73' ' ' CYS . 98.1 mt -65.08 -19.55 66.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.408 -176.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.497 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -83.16 -20.38 60.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -17.32 19.03 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.838 0.828 . . . . 0.0 110.293 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -101.86 143.63 14.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 114.448 -1.251 . . . . 0.0 108.819 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 56.96 1.63 Allowed Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.494 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 137.58 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.791 0.329 . . . . 0.0 111.562 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.43 79.27 5.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 158.14 36.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.228 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.92 164.38 15.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.552 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 3.3 t -152.78 168.55 25.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.183 0.516 . . . . 0.0 111.282 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.596 ' HD3' ' HB3' ' A' ' 81' ' ' PHE . 1.9 tttp -140.16 -67.04 0.44 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.425 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.92 25.07 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.107 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.38 15.31 76.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mtt -89.95 133.68 34.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -85.76 113.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 80' ' ' LEU . 1.6 mp -142.39 158.58 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.266 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.0 m -85.36 -170.26 3.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.084 0.469 . . . . 0.0 110.848 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 74' ' ' ARG . 5.2 mmt180 -65.93 -56.21 12.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.11 -172.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -43.49 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 111.509 -172.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.94 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.229 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 24.6 t80 -66.91 -43.02 84.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.535 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 663' ' ' LEU . 27.1 mm -61.9 -40.19 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.33 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -46.97 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.844 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -73.66 -57.49 3.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.946 -175.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.596 ' HB3' ' HD3' ' A' ' 67' ' ' LYS . 96.9 m-85 -107.87 -62.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 0.0 111.703 -175.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.421 -174.15 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -60.76 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.193 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -80.99 -11.55 59.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.836 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.95 -35.29 59.76 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.127 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -69.65 133.73 47.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.894 177.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.57 121.82 34.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.242 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.99 105.41 5.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.547 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 26.4 t -82.57 107.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.379 0.609 . . . . 0.0 110.147 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -90.64 106.82 18.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.987 178.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 14.9 t -87.21 115.89 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.501 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.3 mp -84.75 112.58 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.128 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.91 76.25 7.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.754 177.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.702 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m0 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.6 OUTLIER -133.16 142.52 48.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.91 179.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.91 134.38 37.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.29 153.98 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.485 0.66 . . . . 0.0 111.646 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.85 -3.49 26.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.09 -55.41 1.2 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.528 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -101.27 -28.16 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.216 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.59 -12.52 59.67 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.382 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.44 -157.05 20.72 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.782 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -100.0 136.35 40.04 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 5.7 mt -71.69 108.9 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.115 0.483 . . . . 0.0 110.091 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . . . -122.08 15.13 10.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.6 -91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.038 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -176.93 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.7 131.57 45.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -94.86 141.91 28.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.691 178.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.857 HD13 ' HA3' ' A' ' 58' ' ' GLY . 28.7 mt -123.24 151.02 42.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.983 0.42 . . . . 0.0 111.105 -176.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -119.05 105.81 11.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.194 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 1.029 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -78.66 -44.37 23.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.0 110.887 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtm -148.18 -64.47 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.28 -177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -146.11 -7.97 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.178 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.66 170.04 9.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.669 0.271 . . . . 0.0 111.024 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -98.99 132.43 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -135.83 176.8 8.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.786 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -139.12 179.62 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -40.22 64.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -171.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -12.71 44.29 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.49 -36.12 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.495 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.029 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.78 73.69 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.385 0.612 . . . . 0.0 110.937 -178.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 1.4 mtmt -132.2 165.57 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.999 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 50.8 t -59.4 136.92 58.12 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 173.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 m -77.35 0.04 23.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 0.0 110.388 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 -36.85 3.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.959 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 99.5 m -95.88 -31.19 13.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 111.621 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.71 24.19 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.114 -171.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.96 134.76 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.332 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -65.83 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 111.324 -175.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 56.2 mt -69.05 -21.18 64.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.661 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.857 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -87.28 -3.75 81.68 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.537 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -100.3 2.9 43.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.106 0.955 . . . . 0.0 109.814 177.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.48 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 4.5 mt -132.23 145.9 33.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.521 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.66 57.99 2.1 Favored Glycine 0 C--N 1.319 -0.416 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.525 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -98.05 115.64 28.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.002 0.43 . . . . 0.0 111.436 -174.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -75.02 81.42 2.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.692 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 667' ' ' LYS . 0.5 OUTLIER -70.32 144.15 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.011 -178.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -112.39 146.04 39.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 t -134.11 166.35 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.049 0.452 . . . . 0.0 110.813 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -63.67 0.47 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.254 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.86 42.45 1.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.305 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 28.22 73.5 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.667 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.74 131.84 55.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.62 107.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.025 0.441 . . . . 0.0 110.585 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 1.2 mt -129.9 157.24 42.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.8 p -74.38 177.11 6.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.544 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -59.75 -42.12 92.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.586 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -35.75 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.877 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -70.03 -37.13 75.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.615 -175.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -57.03 -45.84 82.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.32 -40.64 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 0.0 110.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -32.13 71.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -62.6 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.063 0.458 . . . . 0.0 110.906 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -112.9 -82.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.492 -1.171 . . . . 0.0 111.385 -176.349 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -35.04 79.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 0.0 111.495 -177.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -11.12 59.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.079 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -101.1 3.13 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.88 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.49 129.14 36.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 111.218 -176.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.436 ' HG3' ' H ' ' A' ' 668' ' ' MET . 0.8 OUTLIER -102.31 141.35 35.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.594 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -99.45 113.66 26.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.56 95.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.079 0.466 . . . . 0.0 111.052 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -91.68 130.31 37.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.324 177.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.59 121.38 65.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 37' ' ' TYR . 2.9 mp -115.44 140.38 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.763 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.36 155.22 34.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 120.697 0.284 . . . . 0.0 111.271 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.467 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.3 m-90 . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.786 0.327 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 1.4 mmtt -134.44 152.3 51.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.02 145.41 26.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 110.359 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.572 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 23.3 m -59.1 155.28 14.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.777 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.72 -17.02 9.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.024 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.1 -60.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.777 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.04 -66.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.004 0.402 . . . . 0.0 110.642 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' ' CB ' ' A' ' 23' ' ' CYS . . . 123.95 34.58 0.72 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.572 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -140.32 -131.23 2.73 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.045 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -112.92 134.29 54.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.767 0.318 . . . . 0.0 110.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 44' ' ' HIS . 45.8 mt -74.49 109.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.199 0.523 . . . . 0.0 110.272 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.35 21.08 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.85 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 7.0 m-20 -85.4 -178.36 6.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.442 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -46.45 6.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.831 0.348 . . . . 0.0 110.358 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -101.59 135.82 42.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.247 0.546 . . . . 0.0 111.726 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -93.8 140.8 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.484 177.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.37 134.72 54.84 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.008 0.432 . . . . 0.0 111.572 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.601 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 1.3 m-85 -99.92 117.15 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -103.92 -32.21 9.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.787 0.327 . . . . 0.0 111.423 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.0 ptp -163.29 -34.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.279 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -29.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.18 165.62 15.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -175.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' HB3' HD23 ' A' ' 35' ' ' LEU . 16.2 m-85 -94.85 117.4 30.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.2 m95 -120.52 176.55 5.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 0.0 110.431 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.784 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -133.79 -173.97 3.39 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 167.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.174 0.443 . . . . 0.0 111.282 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -30.52 29.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.114 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.784 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -79.17 -53.78 6.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.894 0.378 . . . . 0.0 110.306 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -76.06 85.88 2.95 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.808 -176.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 164.96 27.93 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.61 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.87 135.28 52.25 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.098 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -78.03 -8.96 58.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.647 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.59 -52.5 3.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.95 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.35 -10.08 17.21 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.415 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 27.37 16.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.186 176.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.64 34.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -73.66 67.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 109.878 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 64' ' ' SER . 4.3 tp -66.73 -23.05 66.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.191 -170.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HB3' ' A' ' 48' ' ' LEU . . . -78.56 -21.21 69.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.668 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 13.11 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.333 0.587 . . . . 0.0 110.635 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.98 141.37 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.787 177.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.26 64.3 2.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.114 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.74 153.5 17.84 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.473 0.309 . . . . 0.0 110.931 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -82.82 66.84 8.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.043 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.39 151.01 44.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.651 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 663' ' ' LEU . 53.5 m-85 -123.34 149.47 44.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.15 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.28 138.24 52.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.263 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.56 133.33 10.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.637 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m 57.17 36.58 27.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.395 0.617 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.4 19.04 74.05 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.792 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.4 mtm -111.38 150.93 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.822 0.311 . . . . 0.0 110.448 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.4 113.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 7.2 mp -124.36 149.46 46.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 20.4 p -72.39 166.49 22.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.029 176.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -49.93 -54.34 20.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.488 -170.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -78.25 -25.77 46.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.583 -175.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.692 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 2.3 m-20 -77.66 -26.19 50.18 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.521 -175.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HE2' HD11 ' A' ' 663' ' ' LEU . 15.3 t80 -59.59 -46.35 89.2 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.52 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 78' ' ' ILE . 0.8 OUTLIER -68.17 -27.19 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 178.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -64.88 -44.15 90.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.325 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 72' ' ' LEU . 3.0 mp -84.15 -58.38 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.065 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 99.0 m-85 -106.39 -98.1 0.35 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -175.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.792 -175.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 666' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.547 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -32.35 73.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.151 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -86.3 -10.36 54.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.156 0.503 . . . . 0.0 110.063 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 663' ' ' LEU . 15.3 m-85 -90.89 -5.66 55.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.564 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 147.65 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.408 ' HE3' HG23 ' A' ' 71' ' ' ILE . 24.0 ptp -100.4 150.34 22.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.15 107.56 19.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.433 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 10.3 t -84.9 94.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 2.9 m -96.63 125.16 40.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.567 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.84 130.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.0 0.428 . . . . 0.0 110.099 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -91.42 131.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.76 129.38 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.231 -176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.321 -0.648 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.208 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 29' ' ' LYS . 2.0 m0 . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.868 0.366 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -135.74 132.76 37.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.001 177.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 61.9 mtm-85 -96.93 129.75 44.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.04 157.35 21.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.211 0.529 . . . . 0.0 111.932 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.75 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -88.28 -92.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.98 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.25 -46.78 35.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 111.033 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.08 52.33 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 22' ' ' ARG . . . -107.83 -155.65 18.97 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.743 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CE3' ' A' ' 20' ' ' TRP . 13.3 mtpt -92.22 124.61 36.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 21' ' ' LYS . 61.6 mt -69.15 107.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.372 0.605 . . . . 0.0 109.491 177.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.91 20.19 15.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.268 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.48 8.22 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.428 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 73.15 -65.54 0.35 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.903 0.881 . . . . 0.0 111.328 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -100.26 124.61 45.92 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.83 0.347 . . . . 0.0 110.365 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.5 153.35 19.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.407 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.81 165.62 13.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -114.41 149.82 35.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.294 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -140.3 -87.89 0.19 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.143 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -79.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 110.045 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -148.16 9.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.404 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 170.58 8.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.503 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -97.66 136.14 38.45 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -130.31 -179.37 5.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.653 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.6 p80 -150.44 -171.46 3.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.76 -35.13 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -175.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.481 ' O ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -82.45 -19.95 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.75 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -100.75 -45.64 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.94 72.85 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.54 0.686 . . . . 0.0 111.354 -173.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 56' ' ' GLN . 14.4 mttt -136.23 158.69 43.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.576 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 36.1 t -58.81 134.82 57.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.797 175.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -2.69 42.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.143 0.497 . . . . 0.0 110.435 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.574 ' HB2' ' OD2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -103.95 -50.7 3.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.6 -178.087 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p -115.15 -4.85 12.43 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.577 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.6 40.43 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.574 178.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 139.74 32.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.869 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -69.23 118.82 12.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.955 0.407 . . . . 0.0 111.023 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 64' ' ' SER . 5.0 mt -106.04 -7.51 18.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.46 -33.71 5.28 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.804 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -99.48 0.35 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.498 0.666 . . . . 0.0 111.097 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.6 141.39 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.734 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.76 65.53 1.13 Allowed Glycine 0 C--N 1.321 -0.254 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.571 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.661 ' HB ' HD23 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -98.56 131.52 44.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 178.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.481 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -66.0 111.39 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.657 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -113.36 133.98 54.87 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.99 172.06 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.386 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t -143.15 179.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 68' ' ' SER . 14.2 tttp -171.59 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.84 46.01 1.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.24 179.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.44 5.08 62.42 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.267 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 32.0 ttm -95.46 146.59 24.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 110.767 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' HE3' ' A' ' 668' ' ' MET . 2.9 mp -97.94 110.93 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -125.99 149.7 48.61 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.91 -176.13 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -82.03 179.55 7.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -57.83 -53.1 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.37 -177.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -36.92 75.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.631 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 4.1 m-20 -77.12 -36.91 55.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.739 -173.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.0 t80 -55.88 -51.87 66.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.063 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.65 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 1.6 mt -71.85 -26.03 25.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.925 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -71.57 -41.12 69.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.68 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -60.02 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.22 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.29 -55.32 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.864 0.364 . . . . 0.0 111.212 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -173.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.42 HD22 ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -39.65 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.616 -174.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -87.39 -9.51 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.507 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -87.03 -11.89 49.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -83.35 122.15 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.421 . . . . 0.0 110.646 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.57 ' SD ' ' HA ' ' A' ' 39' ' ' MET . 1.5 mtt -85.71 90.69 8.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 63' ' ' SER . 0.3 OUTLIER -62.24 123.31 17.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.408 -176.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.889 HG11 HD23 ' A' ' 36' ' ' LEU . 98.3 t -82.78 115.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.991 -169.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -88.29 128.19 35.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.697 173.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 34' ' ' PHE . 7.6 p -99.6 131.44 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.161 0.505 . . . . 0.0 110.428 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 3.5 mp -89.78 122.55 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.73 111.43 6.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.765 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.829 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.809 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.442 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -109.98 137.75 47.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.198 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.23 137.98 40.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 130.57 44.5 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 -50.01 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -168.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -59.03 -58.47 14.4 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.795 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -71.57 -48.32 49.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.007 0.432 . . . . 0.0 110.014 175.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.76 29.76 3.01 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.852 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.59 -126.56 3.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.699 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 141.16 36.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' HB3' ' A' ' 44' ' ' HIS . 7.2 mt -73.35 108.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.255 0.55 . . . . 0.0 111.412 -174.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.3 19.43 14.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.523 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.2 -84.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.859 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -176.26 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' HD2' HG22 ' A' ' 672' ' ' VAL . 3.0 m-85 -98.38 132.44 43.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.073 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.55 144.95 28.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.424 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 HG11 ' A' ' 670' ' ' VAL . 5.8 mp -109.83 150.5 28.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.417 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -111.51 115.38 29.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.587 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -113.35 -100.01 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.649 0.261 . . . . 0.0 110.639 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.57 ' HA ' ' SD ' ' A' ' 668' ' ' MET . 1.7 ttm -58.44 -63.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 41' ' ' SER . 1.5 p-10 -171.82 -4.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.614 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.429 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -101.82 171.4 7.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.206 -177.393 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.31 132.49 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.108 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 5.2 m95 -125.91 153.99 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.44 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.784 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -109.4 -176.21 2.96 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 171.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.615 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 1.1 m -48.35 -46.31 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.667 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -93.13 -1.12 56.72 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.784 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -85.93 -52.14 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.847 -0.533 . . . . 0.0 110.257 178.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -73.44 89.21 1.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.201 178.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -134.31 144.54 48.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.692 177.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.84 133.46 56.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.793 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -76.78 -1.5 28.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -51.68 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 p -112.23 3.47 17.17 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.275 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.37 25.41 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.626 177.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -61.59 120.32 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.128 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -76.52 87.11 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -75.25 -13.11 60.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.685 -178.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.513 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . -62.12 -55.97 24.92 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.029 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 3.0 p-10 -84.76 14.02 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.281 -0.541 . . . . 0.0 111.446 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.63 -45.83 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 110.329 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.05 26.23 Favored Glycine 0 C--N 1.317 -0.518 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.212 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.53 123.88 26.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.861 ' HA ' HG23 ' A' ' 670' ' ' VAL . 22.9 m -68.96 109.23 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.022 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 160.95 28.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.888 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.642 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 42.9 m-85 -104.06 159.44 15.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -152.98 173.63 15.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.063 0.459 . . . . 0.0 111.585 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.83 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.086 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.6 43.18 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.082 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.38 -4.99 57.53 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.334 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.4 mtm -84.41 128.49 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.633 -0.334 . . . . 0.0 110.717 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.498 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.3 111.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.876 0.37 . . . . 0.0 110.035 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.554 HD12 ' HD1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.27 158.42 37.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 -177.077 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -73.11 175.78 6.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.532 . . . . 0.0 111.281 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.642 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -62.04 -31.71 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.539 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -83.15 -41.59 18.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.648 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.691 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -77.06 -38.24 52.99 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.635 -171.1 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' HD1' HD12 ' A' ' 72' ' ' LEU . 54.2 t80 -57.29 -42.94 82.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.303 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.96 -28.63 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 0.0 110.343 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -75.56 -36.77 60.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -81.07 -60.24 2.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.457 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -107.26 -101.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.683 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.695 -1.058 . . . . 0.0 111.69 -179.277 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 77' ' ' TYR . 54.7 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 42.1 m -70.36 -12.54 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 111.006 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.05 -23.16 55.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.048 0.451 . . . . 0.0 110.22 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' THR . 26.0 m-85 -102.35 10.64 38.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.223 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.473 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 12.0 mttt -86.39 151.26 23.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.157 -172.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.416 ' CE ' ' HG3' ' A' ' 39' ' ' MET . 0.0 OUTLIER -136.79 118.75 15.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.702 171.716 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.2 148.31 24.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.306 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 88.9 t -83.83 108.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.593 -172.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 127.56 35.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 172.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.79 139.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 35' ' ' LEU . 3.2 mp -112.51 132.93 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.125 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 5.9 t70 -84.17 86.38 7.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.95 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 m0 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -114.89 125.45 53.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 142.68 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.314 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.72 144.64 34.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.84 -52.91 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -64.13 -64.26 3.77 Favored Glycine 0 CA--C 1.516 0.108 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.784 -173.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -45.9 92.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.9 1.9 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.293 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.32 -113.53 1.22 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.71 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.24 144.82 26.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 35' ' ' LEU . 3.3 mt -63.93 108.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.52 0.676 . . . . 0.0 110.744 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.88 18.98 13.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 4.3 m-20 -75.97 -71.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 10.5 ttt85 177.92 -65.38 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.648 169.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.3 m-30 -96.09 137.47 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.765 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.08 146.06 25.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.264 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' HA2' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -120.66 170.47 9.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -178.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.3 OUTLIER -120.93 149.44 42.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 -177.395 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -140.59 -89.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.668 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.416 ' HG3' ' CE ' ' A' ' 668' ' ' MET . 0.0 OUTLIER -74.85 -80.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.36 3.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.32 169.59 9.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -96.93 126.97 42.45 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.538 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 16.0 m95 -121.65 179.18 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.034 0.445 . . . . 0.0 111.073 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.3 p80 -151.5 -175.55 5.24 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.38 67.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -4.11 54.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.75 -58.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.796 -179.349 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD11 ' HB2' ' A' ' 38' ' ' ALA . 3.7 mt -73.1 86.38 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 110.766 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -143.1 142.91 31.64 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.465 175.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 26.9 t -54.05 132.32 42.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.596 0.56 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.29 -14.88 61.87 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.244 -177.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.07 -52.09 3.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.43 -1.92 16.84 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.992 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 59.74 37.99 21.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.6 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -67.83 124.17 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.97 79.84 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.256 0.551 . . . . 0.0 111.439 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -9.7 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.777 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . -71.09 -25.99 74.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.536 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.5 -35.46 9.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.079 0.942 . . . . 0.0 109.926 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.05 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.14 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.413 ' HA2' HG21 ' A' ' 670' ' ' VAL . . . -73.71 66.28 1.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.815 -171.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.39 148.47 24.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.11 110.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 0.0 111.275 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -177.92 5.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.885 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' ' HG3' ' A' ' 667' ' ' LYS . 90.5 m-85 -127.71 147.59 50.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.076 0.465 . . . . 0.0 111.541 -176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.505 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 1.2 t -135.69 173.6 11.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 176.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -163.27 -56.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.607 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -119.96 50.1 1.32 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.25 29.17 66.8 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.633 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.08 129.42 43.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -98.28 111.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.49 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 71' ' ' ILE . 1.3 mm? -121.51 163.51 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -75.62 -178.08 3.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -62.56 -39.04 92.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.846 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.467 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -79.47 -46.32 17.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.23 -176.632 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.585 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 1.5 m-20 -72.64 -23.14 60.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.866 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 663' ' ' LEU . 21.5 t80 -62.09 -43.14 99.47 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.203 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.463 ' H ' HG13 ' A' ' 78' ' ' ILE . 1.3 mt -71.33 -32.35 46.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -71.61 -36.69 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.671 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -80.94 -53.94 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -125.74 -76.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.105 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.411 -174.668 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.406 HD22 ' HE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -59.43 -33.68 71.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.67 -177.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -8.79 57.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.53 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.04 -23.54 17.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.629 -176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.689 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -77.71 123.13 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 0.0 110.289 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 64' ' ' SER . 0.2 OUTLIER -80.74 144.6 32.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -177.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.0 105.31 12.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.402 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 4.2 t -85.32 95.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -90.41 110.33 21.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.788 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.62 122.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' LEU . 2.8 mp -90.37 129.65 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -81.28 110.41 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.126 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.237 0.441 0 CA-C-O 121.134 0.492 . . . . 0.0 112.262 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 24.7 m95 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.81 0.814 . . . . 0.0 112.774 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.56 134.75 54.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.674 170.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 127.79 35.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.776 -171.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HG13 ' A' ' 30' ' ' ILE . 49.2 m -73.13 154.96 40.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.177 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.49 -6.84 3.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.139 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.05 -42.18 0.86 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.307 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 2.6 p -102.85 -99.66 0.29 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 117.258 0.529 . . . . 0.0 111.878 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.601 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -92.79 -73.61 1.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.472 -174.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.557 ' CA ' ' HB2' ' A' ' 23' ' ' CYS . . . 171.98 -29.52 0.11 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.371 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -117.12 114.53 23.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.57 -0.37 . . . . 0.0 110.536 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.677 HG13 ' SG ' ' A' ' 23' ' ' CYS . 19.1 mt -71.38 108.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.185 0.517 . . . . 0.0 109.84 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.21 18.54 20.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.227 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.94 -179.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD3' ' HD1' ' A' ' 34' ' ' PHE . 1.7 tmt_? -89.76 -63.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.505 ' HD1' ' HD3' ' A' ' 33' ' ' ARG . 1.2 m-85 -100.57 130.8 46.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.84 150.19 23.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.12 -179.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.06 155.77 36.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.941 0.401 . . . . 0.0 110.815 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.0 OUTLIER -106.79 149.36 27.44 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.555 -179.646 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.01 -96.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 55.62 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.27 -177.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.18 22.5 7.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.205 0.602 . . . . 0.0 112.206 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -132.13 171.15 14.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.23 130.62 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 48' ' ' LEU . 1.9 m95 -131.8 171.3 13.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.453 0.644 . . . . 0.0 111.376 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.751 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -140.32 -162.97 1.43 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 171.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 1.5 m -58.8 -47.76 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.966 0.348 . . . . 0.0 111.78 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -10.98 59.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.751 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.19 -52.05 3.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.759 0.314 . . . . 0.0 110.728 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.89 77.69 9.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.11 0.481 . . . . 0.0 110.28 179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 154.35 44.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.578 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 49.8 t -60.16 127.21 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.446 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.36 -6.09 56.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.105 0.479 . . . . 0.0 110.206 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.615 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.59 -51.65 3.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.9 -176.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -113.04 -3.65 13.98 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.287 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 64.97 41.96 4.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.333 178.567 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.578 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -86.81 123.04 31.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.777 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' SER . 15.2 mt-30 -65.34 94.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.075 0.464 . . . . 0.0 110.564 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 64' ' ' SER . 19.2 mt -79.94 -21.13 44.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.684 -177.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.17 -1.17 56.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.93 3.65 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.856 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.36 137.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.037 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.27 48.82 2.87 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.593 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 151.17 21.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.692 0.282 . . . . 0.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 103.49 2.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.4 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.657 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -79.7 153.41 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.736 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 89.6 m-85 -115.39 158.94 21.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -150.15 171.12 17.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -167.71 -67.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.115 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.04 34.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.243 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.39 2.74 80.7 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.173 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 35.3 mtm -101.74 151.77 21.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -91.35 123.57 43.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.615 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 4.0 mp -130.86 143.53 50.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.813 0.339 . . . . 0.0 110.786 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.782 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.3 p -73.36 170.24 15.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.342 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.565 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 29.0 mtp-105 -58.71 -45.54 89.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.37 -43.04 82.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.782 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.62 -45.13 69.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.114 -172.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 663' ' ' LEU . 26.0 t80 -58.16 -45.17 87.9 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.407 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.3 mt -74.43 -31.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -73.92 -25.25 59.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.822 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -95.23 -62.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.293 -179.267 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -107.39 -87.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.001 -174.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.816 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.075 -175.169 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.585 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.4 mp . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 120.986 0.422 . . . . 0.0 110.089 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.98 88.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.134 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -77.88 -24.51 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.73 0.3 . . . . 0.0 111.504 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.585 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 29.3 m-85 -92.3 -3.75 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -65.54 123.29 19.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.109 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.16 85.46 3.47 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.22 113.77 6.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.271 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 17.0 t -84.43 115.74 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.491 -174.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.36 118.66 28.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -94.79 120.7 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.581 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.28 128.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.281 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 26.6 t70 -73.59 111.9 9.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.775 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.908 -177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.487 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 1.9 m0 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.503 0.192 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.49 45.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 110.457 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 1.7 tpt180 -69.9 128.92 38.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.32 153.85 20.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 110.808 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.15 -61.56 1.69 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.33 -73.37 0.54 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.551 -0.357 . . . . 0.0 113.184 -172.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.01 64.1 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.84 39.84 4.25 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.036 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.475 ' O ' ' HD2' ' A' ' 22' ' ' ARG . . . -130.22 -113.3 1.59 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.999 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -145.86 142.28 28.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.904 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.2 mt -74.04 108.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 11.51 14.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.371 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 4.6 m-20 -66.54 -86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.195 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.83 -73.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -92.01 146.7 23.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.96 136.13 40.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.997 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.48 135.01 51.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.639 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -99.07 113.38 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.743 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.608 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -108.78 -106.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 172.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.8 ptp -84.56 56.17 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.278 0.561 . . . . 0.0 110.484 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.28 -10.26 0.93 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.909 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' HG ' ' HZ2' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -84.89 169.25 14.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.204 -0.31 . . . . 0.0 110.304 178.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -98.38 119.19 36.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 6.5 m95 -121.24 156.18 33.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.301 0.572 . . . . 0.0 111.41 -177.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.904 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -123.5 -171.75 2.37 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -34.99 78.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.368 0.531 . . . . 0.0 111.355 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 111.319 -179.168 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.76 -51.83 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 0.0 111.085 -178.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -77.39 71.02 3.85 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.219 -176.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.875 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.49 166.15 26.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.932 176.509 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.6 t -65.46 127.7 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -78.3 -2.33 37.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.228 0.537 . . . . 0.0 110.329 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.84 -30.78 9.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.813 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 93.8 m -103.49 -23.28 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 57.49 30.3 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.429 0.633 . . . . 0.0 110.163 -172.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.05 37.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.864 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -52.41 118.82 3.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.876 0.735 . . . . 0.0 111.431 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 1.1 mp -102.15 -21.24 14.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 -14.15 56.67 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.178 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -99.51 20.51 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.22 145.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.034 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.03 -13.19 83.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.626 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 122.84 19.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.284 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.12 128.08 34.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.105 -175.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.03 163.16 28.14 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.334 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.705 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 64.9 m-85 -127.1 161.32 28.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -175.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 t -152.83 171.11 18.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.573 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HD2' ' OH ' ' A' ' 77' ' ' TYR . 10.2 tttp -163.19 -70.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.3 51.37 1.09 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.294 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.74 28.01 72.77 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.023 175.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 mtm -122.01 129.67 52.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.375 0.588 . . . . 0.0 111.287 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.8 107.99 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' ' HB3' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -126.89 161.01 29.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.865 -177.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.8 p -82.39 -177.45 6.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.705 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 2.0 tmm_? -65.11 -38.2 89.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.756 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.45 -40.85 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -66.05 -42.88 88.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.839 -173.705 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.467 ' OH ' ' HD2' ' A' ' 67' ' ' LYS . 46.1 t80 -62.68 -46.19 89.32 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.952 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.21 -31.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.344 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -46.88 29.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -69.77 -57.18 5.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.093 -175.315 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 80' ' ' LEU . 99.2 m-85 -114.14 -107.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 0.0 111.322 -176.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.435 0 CA-C-O 117.889 -1.506 . . . . 0.0 110.716 -174.486 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.76 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.7 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -27.4 68.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.403 -177.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -38.8 27.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.259 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.76 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.0 m-85 -73.33 -13.9 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.541 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.76 124.1 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.445 0.64 . . . . 0.0 112.41 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.3 ttp -109.75 111.56 23.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.796 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 146.36 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.53 110.86 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -89.17 117.9 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.008 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.54 132.53 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.632 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -98.12 118.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -81.07 88.06 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.646 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.838 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 1.6 m0 . . . . . 0 N--CA 1.466 0.33 0 CA-C-O 120.632 0.254 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 3.9 tptt -139.92 143.3 36.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.202 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 136.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.626 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 7.9 m -61.1 154.34 23.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.892 177.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.82 -27.21 8.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.366 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.53 -46.41 1.42 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.191 -0.528 . . . . 0.0 113.317 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HB2' ' H ' ' A' ' 27' ' ' GLY . 2.6 m -75.64 -90.58 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.211 0.505 . . . . 0.0 110.747 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.49 ' H ' ' HB2' ' A' ' 26' ' ' CYS . . . 150.96 64.36 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.642 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.626 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -177.99 -132.85 1.77 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -119.58 142.22 48.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.997 0.427 . . . . 0.0 110.153 174.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -67.73 109.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.28 28.8 4.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.059 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 3.3 m-20 -95.91 -178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.526 177.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -100.09 -53.26 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.75 123.42 44.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.683 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -100.55 150.95 22.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 178.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -115.65 144.24 44.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -93.84 146.92 23.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.803 172.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.46 -100.4 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.22 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttm -86.4 55.84 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.016 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.59 -9.24 1.22 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.357 0.663 . . . . 0.0 112.706 172.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 170.16 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.661 0.267 . . . . 0.0 110.689 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -93.41 118.95 31.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -120.9 160.89 22.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.753 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -122.88 -167.07 1.53 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 168.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.569 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -62.51 -28.09 69.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.716 0.293 . . . . 0.0 111.502 -178.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -22.56 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.753 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -86.78 -52.87 5.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.155 0.503 . . . . 0.0 109.8 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.14 87.0 5.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.218 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.96 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.33 174.76 10.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.012 176.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.62 132.82 42.07 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.427 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.35 -3.84 48.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 -50.65 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.866 -175.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.62 -8.5 13.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.591 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.0 mm100 66.07 26.23 10.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.635 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.52 150.65 48.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.362 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.23 105.99 1.23 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.258 0.551 . . . . 0.0 111.551 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.96 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 3.8 mp -102.54 -8.8 20.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.044 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -92.88 -57.86 1.37 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.529 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.41 -0.02 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.41 0.624 . . . . 0.0 111.247 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mm -126.52 136.15 61.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.184 -0.917 . . . . 0.0 108.982 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.76 3.42 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.671 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.88 115.68 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 114.5 5.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.61 167.37 12.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.897 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.781 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 78.1 m-85 -131.21 149.19 52.68 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 t -123.53 175.33 6.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.025 0.441 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -166.83 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 31.95 5.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.756 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.16 27.27 70.46 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 136.95 49.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.89 113.99 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.639 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' HD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -134.88 153.37 52.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.962 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -76.21 173.32 11.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.781 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -61.44 -34.52 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.926 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -82.58 -33.12 28.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.066 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.683 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -82.19 -37.94 25.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.922 -174.104 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HD1' HD13 ' A' ' 72' ' ' LEU . 60.3 t80 -55.06 -41.66 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt -67.9 -35.6 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 111.2 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -38.8 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -66.74 -58.34 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.2 -177.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.7 -67.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.907 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.168 -1.351 . . . . 0.0 110.98 -173.623 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 13.4 mt . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.773 ' HA ' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -52.8 -53.89 41.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.619 -174.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.84 -10.07 59.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.634 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 89.5 m-85 -92.78 -22.23 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.86 -173.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.773 ' HE3' ' HA ' ' A' ' 664' ' ' SER . 0.1 OUTLIER -86.26 128.77 34.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.165 0.507 . . . . 0.0 110.735 -179.048 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 17.2 ptp -95.19 140.28 30.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.021 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -84.1 117.13 23.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 13.4 t -84.48 94.59 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.971 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.83 103.19 15.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.31 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.21 124.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.29 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.587 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -84.89 124.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 0.0 110.53 -176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 7.1 t70 -78.1 98.58 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.75 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.89 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m-90 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.466 0.65 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 2.9 mmtm -133.59 124.8 27.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.355 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.24 115.63 30.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.967 0.413 . . . . 0.0 110.996 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 156.54 37.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.38 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.38 -7.55 59.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.87 -86.93 1.24 Allowed Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.004 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 10.6 p -70.18 -31.93 69.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.674 0.273 . . . . 0.0 110.77 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.68 90.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.659 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.91 -91.77 0.43 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.582 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -166.72 145.44 5.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 44' ' ' HIS . 80.9 mt -74.16 108.82 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.437 0.637 . . . . 0.0 110.925 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.54 19.25 20.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.676 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -89.39 175.25 7.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.885 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.9 -54.36 4.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.6 m-85 -100.98 132.11 46.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 673' ' ' ILE . 0.3 OUTLIER -100.4 147.94 25.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 173.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.616 HD13 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -126.99 156.33 41.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.965 0.412 . . . . 0.0 111.399 -172.232 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.7 OUTLIER -103.31 150.2 23.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.639 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' ' 668' ' ' MET . . . -132.43 -79.6 0.5 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.277 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -98.5 -67.19 0.86 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.348 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -149.47 -1.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.424 . . . . 0.0 110.86 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.55 166.56 10.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.578 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.96 124.8 50.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.495 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -119.91 174.8 6.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.404 0.621 . . . . 0.0 111.413 -173.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.632 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -127.84 -179.03 4.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.391 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -62.38 -24.09 67.18 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -11.33 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.632 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -100.57 -53.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.715 0.293 . . . . 0.0 111.144 -178.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.48 83.91 4.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 110.735 -178.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 168.41 19.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.582 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 28.0 t -65.76 132.33 48.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.364 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -79.53 -6.31 56.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.036 0.446 . . . . 0.0 110.485 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -103.83 -51.72 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.974 -178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.6 p -112.21 -0.64 15.46 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.525 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 12.9 mm100 66.19 30.09 9.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.355 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -67.86 123.64 21.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.38 75.77 0.55 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 64' ' ' SER . 11.4 mt -64.81 -21.14 66.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.9 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -80.81 -18.62 69.78 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.376 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -101.09 10.21 41.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.668 0.747 . . . . 0.0 110.637 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 3.3 mt -135.47 150.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.526 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.07 49.47 1.83 Allowed Glycine 0 C--N 1.317 -0.484 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.957 173.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -93.61 132.86 37.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.846 0.355 . . . . 0.0 111.47 -175.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.89 85.62 3.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.038 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -70.54 141.81 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 666' ' ' TYR . 79.0 m-85 -114.08 160.2 19.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.685 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -152.1 157.08 41.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.1 0.476 . . . . 0.0 111.259 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -71.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.738 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.52 18.96 0.39 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.603 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.07 76.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.199 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.1 mtm -102.12 139.1 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.615 -0.344 . . . . 0.0 110.302 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.99 123.71 37.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.7 mp -134.61 148.95 50.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.492 0.187 . . . . 0.0 110.538 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 25.9 p -72.81 168.8 18.1 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.99 0.424 . . . . 0.0 110.513 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -61.5 -36.41 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.786 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -41.08 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.745 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.608 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -70.75 -48.71 53.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.193 -175.11 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 26.5 t80 -58.99 -47.59 84.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.582 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -40.57 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -69.96 -42.83 72.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.021 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -76.56 -62.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.823 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 34.7 m-85 -101.42 -71.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.827 -173.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.907 0 CA-C-O 118.977 -0.902 . . . . 0.0 111.666 -173.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 77' ' ' TYR . 7.5 mt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.378 0.609 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.55 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -60.11 -27.08 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.839 -178.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -83.09 -19.11 37.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -90.74 -20.71 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.11 0.481 . . . . 0.0 110.138 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -78.5 141.17 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.23 178.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.584 ' SD ' ' HG3' ' A' ' 39' ' ' MET . 1.2 mtm -89.7 124.41 34.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.24 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 111.24 6.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.408 . . . . 0.0 109.928 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 5.0 t -83.53 107.54 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.426 -170.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.3 m -89.94 112.76 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.406 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.53 113.35 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.651 0.262 . . . . 0.0 110.392 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 35' ' ' LEU . 3.0 mp -84.81 125.62 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.397 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -92.03 117.8 30.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.735 0.779 . . . . 0.0 110.325 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.79 -174.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 120.925 0.393 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 6.4 mmtm -108.48 95.16 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.4 134.1 45.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.902 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.733 ' HB3' HG13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -89.89 154.18 20.06 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -175.006 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.54 -59.32 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -167.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.15 -65.04 3.32 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.193 -171.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -38.36 89.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.11 20.1 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.563 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.87 -146.73 9.13 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 1.4 mppt? -113.1 133.0 55.22 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.733 HG13 ' HB3' ' A' ' 23' ' ' CYS . 8.0 mt -68.16 105.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.3 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.05 11.97 27.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.588 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -176.72 6.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.004 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -63.73 1.27 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.683 0.278 . . . . 0.0 111.103 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.7 m-85 -97.34 125.27 41.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 111.308 -173.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.678 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.71 144.07 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.988 176.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -109.45 141.08 42.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.15 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -103.79 102.56 12.39 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.729 173.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -101.68 -96.83 0.28 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.584 ' HG3' ' SD ' ' A' ' 668' ' ' MET . 8.6 mtt -64.68 -50.01 68.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.629 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 172.75 -14.61 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.694 0.759 . . . . 0.0 109.158 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.93 171.09 11.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.369 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -92.82 116.2 28.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.528 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 10.3 m95 -113.29 173.01 6.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.271 0.558 . . . . 0.0 110.746 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.3 p80 -135.98 -175.78 4.09 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.649 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -55.52 -45.38 77.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.744 0.247 . . . . 0.0 111.582 -178.182 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.753 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -81.67 -6.62 59.19 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -175.211 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.98 -47.09 7.77 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.858 -0.526 . . . . 0.0 110.328 177.323 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 38' ' ' ALA . 4.5 mt -76.46 73.87 3.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.925 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 151.9 45.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.124 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.1 t -61.1 135.89 57.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -0.55 30.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.159 0.504 . . . . 0.0 110.506 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.9 -34.04 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 85.5 m -92.45 -35.4 13.67 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.71 0.29 . . . . 0.0 110.745 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 19.67 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.161 -169.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.26 130.24 35.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.804 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.753 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.81 108.98 10.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -176.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.41 -1.3 57.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.25 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -61.67 -25.16 65.12 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.948 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -99.95 12.42 36.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.353 0.597 . . . . 0.0 110.864 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -117.11 140.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.207 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.94 13.83 35.38 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.944 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.73 124.94 42.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.723 0.297 . . . . 0.0 110.236 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HG3' ' A' ' 667' ' ' LYS . 1.1 m -79.96 130.32 35.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.451 . . . . 0.0 111.171 -175.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.24 172.56 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 177.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.773 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 77.4 m-85 -115.04 157.52 23.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 159.37 42.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' H ' ' A' ' 68' ' ' SER . 2.7 tttm -159.55 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.775 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -81.38 60.28 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.588 -177.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.47 28.46 71.23 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.234 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.7 mtm -139.06 139.43 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.706 0.253 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.74 112.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.448 . . . . 0.0 109.814 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.56 155.91 27.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.634 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.863 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -68.94 176.31 3.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.812 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.773 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -59.88 -48.02 83.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.815 -178.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.15 -39.8 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.863 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.55 -42.57 74.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.857 -175.025 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.681 ' HE2' HD22 ' A' ' 663' ' ' LEU . 32.3 t80 -58.47 -46.19 87.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.701 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 32.7 mt -65.46 -37.27 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.024 0.44 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.099 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.97 -56.43 3.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.428 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -118.1 -71.19 0.75 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -175.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.649 -1.084 . . . . 0.0 111.743 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 78' ' ' ILE . 2.5 mt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.911 ' HA ' ' HG3' ' A' ' 667' ' ' LYS . 70.1 m -66.77 -21.71 66.05 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.234 -0.291 . . . . 0.0 111.441 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -23.06 56.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -100.86 10.02 41.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.725 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.911 ' HG3' ' HA ' ' A' ' 664' ' ' SER . 0.9 OUTLIER -72.8 136.08 45.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.39 0.614 . . . . 0.0 111.433 -176.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.409 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 26.4 ttp -117.59 120.05 36.88 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.258 172.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.83 126.59 39.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.231 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -84.27 118.14 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.693 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 140.52 29.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.71 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.61 119.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.679 0.276 . . . . 0.0 110.966 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.662 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.79 127.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.58 110.72 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.844 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.525 ' CH2' ' HE2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 9.0 mmtt -121.28 140.64 51.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.512 . . . . 0.0 111.803 -173.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.71 138.61 31.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' HB3' HG13 ' A' ' 30' ' ' ILE . 8.3 p -91.77 154.8 18.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.092 0.472 . . . . 0.0 112.257 -171.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.523 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -68.91 -71.24 1.0 Allowed Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.399 -0.429 . . . . 0.0 113.476 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.09 -42.84 69.8 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 110.725 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.99 40.11 7.2 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.831 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.89 -78.23 0.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.816 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -176.35 143.32 0.5 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 44' ' ' HIS . 14.4 mt -73.02 109.11 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.113 0.482 . . . . 0.0 110.476 178.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 35.16 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.665 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.594 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -90.89 -111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.388 176.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -155.8 -67.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -96.05 145.3 25.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.576 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 5.8 mp -93.43 139.11 31.06 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 -177.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -107.95 123.01 48.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.08 109.03 20.27 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.705 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -132.35 131.54 42.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.0 mtm 67.95 -61.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 124.106 0.878 . . . . 0.0 111.311 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -171.14 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.567 0.347 . . . . 0.0 110.601 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.63 169.82 8.4 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.794 0.33 . . . . 0.0 111.385 -171.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' HB2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -99.68 117.1 33.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.586 177.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m95 -113.84 172.91 6.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.149 0.5 . . . . 0.0 110.935 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.8 p80 -131.94 -173.75 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -53.64 -46.26 70.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.047 0.385 . . . . 0.0 112.028 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.53 -6.89 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.926 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -99.85 -49.18 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.197 177.347 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -77.8 69.29 4.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.317 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -143.39 157.47 44.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.805 177.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 26.6 p -72.28 145.97 47.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.884 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -9.65 59.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -176.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.16 -47.47 6.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 -9.24 14.68 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.615 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER 64.83 40.27 5.61 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.56 -176.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 57' ' ' LEU . . . -77.35 106.43 9.1 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 1.1 mm100 -62.12 90.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 110.865 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' ' 73' ' ' CYS . 4.0 mt -68.67 -16.56 63.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 -11.54 66.1 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.242 175.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.19 -6.55 27.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.311 1.053 . . . . 0.0 109.625 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 57' ' ' LEU . 21.8 mt -106.32 109.21 27.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.616 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.55 -4.34 84.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.346 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.71 157.24 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' HD2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -59.75 117.04 4.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.46 -176.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.73 172.99 7.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.74 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -126.45 158.3 36.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.634 0.254 . . . . 0.0 110.767 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -152.59 170.92 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.354 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HE2' ' OH ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -161.2 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -83.03 34.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.955 -175.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.2 71.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.525 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.04 143.06 46.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.695 0.283 . . . . 0.0 110.328 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 0.6 OUTLIER -102.01 108.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.624 178.677 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.759 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.7 OUTLIER -123.43 156.72 34.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.773 ' HA ' HD21 ' A' ' 57' ' ' LEU . 28.3 p -75.3 174.6 9.31 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.02 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -57.75 -38.24 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -29.85 31.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.714 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.759 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.44 -51.6 28.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -174.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' OH ' ' HE2' ' A' ' 67' ' ' LYS . 46.2 t80 -55.57 -43.9 76.34 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.45 0.469 . . . . 0.0 111.16 -175.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 663' ' ' LEU . 12.5 mm -62.02 -39.64 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.822 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 79' ' ' ARG . 9.5 ttp85 -76.42 -40.39 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.112 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.446 HD23 ' CE1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -72.11 -56.31 5.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -178.148 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 80' ' ' LEU . 73.6 m-85 -119.75 -80.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.022 0.439 . . . . 0.0 110.485 -177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 CA-C-O 118.615 -1.103 . . . . 0.0 111.109 -176.1 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.667 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 3.6 mp . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.149 0.5 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -35.66 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.959 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -83.9 -9.57 58.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.307 0.575 . . . . 0.0 110.473 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.667 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.1 m-30 -93.32 -17.43 23.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 145.34 37.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 111.767 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.451 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 19.8 ptp -103.41 152.82 21.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.75 117.49 29.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.424 HG11 ' HA2' ' A' ' 58' ' ' GLY . 3.3 t -83.74 95.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.357 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -97.18 144.26 27.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.55 129.37 75.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.11 122.99 38.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.134 0.492 . . . . 0.0 110.287 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.28 77.93 4.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.966 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.104 0.478 . . . . 0.0 111.232 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -138.56 138.51 38.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.291 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.11 130.15 44.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB3' HG13 ' A' ' 30' ' ' ILE . 19.7 p -82.34 154.77 25.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.123 0.487 . . . . 0.0 111.545 -175.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.75 -21.93 24.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.67 -169.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -79.73 1.02 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.19 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 111.334 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 44.1 1.94 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.059 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 174.01 21.58 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -71.63 126.63 30.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.36 0.58 . . . . 0.0 109.531 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' LYS . 4.9 mt -65.75 108.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.213 0.53 . . . . 0.0 110.884 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.11 15.08 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.69 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 155.96 27.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.753 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 3.3 ttp180 -72.99 -55.34 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.306 -177.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.753 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 4.5 m-85 -100.86 121.89 42.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.969 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 151.5 19.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.641 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.94 163.04 18.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.984 0.421 . . . . 0.0 111.457 -175.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -117.21 148.98 41.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.625 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -137.18 -74.64 0.42 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 mtm -91.15 -76.77 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.326 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -151.02 -0.02 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.015 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.3 168.04 12.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.404 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -103.39 123.02 46.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.5 m95 -118.65 -179.89 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 0.0 111.179 -174.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.8 p80 -145.93 -171.48 3.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.717 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -50.19 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -77.49 -11.73 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -102.18 -43.03 5.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.038 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -76.85 71.44 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.466 0.65 . . . . 0.0 110.522 -176.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.2 164.46 30.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.654 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 48.8 t -60.62 131.78 51.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.479 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -78.7 -7.16 57.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.142 0.496 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.492 ' HB3' ' CG ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -98.37 -51.76 3.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.668 -176.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.46 -4.67 13.55 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.681 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 6.2 mm100 66.91 37.54 3.94 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.422 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -91.64 133.89 35.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.75 126.44 29.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.0 110.994 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 64' ' ' SER . 2.9 mt -105.57 1.24 27.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.064 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' HG11 ' A' ' 670' ' ' VAL . . . -92.1 -52.96 2.12 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.604 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.5 8.15 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.44 0.638 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.88 143.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.897 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.65 39.87 1.32 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.142 -0.552 . . . . 0.0 113.612 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.22 126.28 47.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.767 0.284 . . . . 0.0 110.661 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 119.79 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.711 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.73 135.43 38.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.403 . . . . 0.0 110.653 179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.846 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 72.9 m-85 -112.62 152.57 28.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.14 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -142.81 178.24 7.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 0.0 111.158 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 7.1 tttp -164.73 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.248 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.02 39.39 1.8 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.637 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.92 -25.1 3.61 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 116.02 -0.537 . . . . 0.0 113.265 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttm -68.31 137.57 54.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.14 122.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.908 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.6 mp -133.7 156.66 47.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.722 0.296 . . . . 0.0 110.924 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.0 p -76.95 176.35 8.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.147 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.846 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 6.7 ttt85 -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -45.37 22.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -69.37 -39.98 77.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.496 -175.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -62.84 -42.77 99.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.361 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.6 -33.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.503 . . . . 0.0 110.284 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 ttm105 -69.87 -39.56 76.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.418 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -83.53 -60.45 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.82 -176.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.419 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 30.4 m-85 -119.99 -92.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.881 0.372 . . . . 0.0 110.938 -175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.704 -1.053 . . . . 0.0 111.623 -177.303 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.507 HD11 HG12 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.045 0.45 . . . . 0.0 110.339 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.4 ' HA ' ' CD ' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -67.82 -34.74 77.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 -174.236 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -23.84 67.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.166 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.15 8.42 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.702 -175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 664' ' ' SER . 1.0 OUTLIER -81.28 123.9 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.756 0.313 . . . . 0.0 110.741 179.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . 0.448 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 10.1 ptp -90.82 153.33 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.545 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -99.58 113.15 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.976 0.417 . . . . 0.0 110.653 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.2 t -84.76 94.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -89.87 110.45 21.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 177.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.82 122.03 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.65 HD13 HD12 ' A' ' 35' ' ' LEU . 3.6 mp -96.36 123.12 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 4.9 m-20 -79.67 102.25 8.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.042 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.556 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -119.93 136.54 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.8 tpt180 -92.27 144.95 24.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.7 t -90.98 154.66 19.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.85 16.29 15.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.218 0.532 . . . . 0.0 110.51 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.0 -54.95 0.52 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.275 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 p -94.91 -95.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.506 0.653 . . . . 0.0 110.802 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.39 77.3 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.14 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.1 -152.16 23.71 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.272 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -100.42 157.56 16.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 35' ' ' LEU . 13.3 mt -73.49 109.4 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.78 10.69 28.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -82.45 11.4 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.486 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER 72.43 -68.52 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.092 -176.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.9 m-85 -93.66 126.55 38.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.155 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.09 147.64 25.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.169 179.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.9 164.27 20.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.618 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -116.85 150.0 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.108 178.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -136.51 -86.82 0.33 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.136 176.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -83.34 -79.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.24 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -137.68 -7.33 1.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.44 170.26 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.687 -169.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.407 ' HB3' HD11 ' A' ' 30' ' ' ILE . 28.9 m-85 -89.64 137.3 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.844 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.58 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 22.0 m95 -134.27 179.5 6.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.015 0.436 . . . . 0.0 110.684 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -145.66 174.26 11.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.535 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -49.3 21.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.59 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -172.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 49' ' ' LYS . 1.2 m -101.6 -32.79 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -75.67 68.08 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.628 0.727 . . . . 0.0 109.844 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -131.56 162.76 29.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.209 -177.312 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 40.7 t -63.19 132.11 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.219 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -75.06 -9.37 58.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.126 0.488 . . . . 0.0 110.453 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 -51.3 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.06 0.25 14.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.453 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 66.75 20.94 10.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.214 177.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.02 117.1 7.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.44 0.162 . . . . 0.0 110.568 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 58.8 mt-30 -75.12 86.11 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -74.85 -22.57 58.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.237 -176.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.45 -14.06 71.58 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.683 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -98.25 8.67 44.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.489 0.661 . . . . 0.0 110.216 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 57' ' ' LEU . 14.9 mt -117.18 -58.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.356 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 -19.84 11.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.143 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.87 143.48 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.49 118.44 8.14 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.455 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.584 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -81.69 179.7 7.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.972 172.548 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' HE1' ' HB3' ' A' ' 74' ' ' ARG . 92.3 m-85 -124.84 166.48 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.71 0.29 . . . . 0.0 110.754 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 t -158.05 175.09 14.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -167.3 -65.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.806 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.26 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.95 -24.29 2.87 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.257 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtm -78.2 141.14 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.633 -0.333 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' HE1' ' A' ' 668' ' ' MET . 0.5 OUTLIER -89.79 123.63 42.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 177.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 76' ' ' ASP . 4.6 mp -130.23 149.06 52.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.75 0.309 . . . . 0.0 110.557 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.7 p -71.39 170.56 12.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.585 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.593 ' HB3' ' HE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.26 -29.81 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.76 -45.56 24.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.724 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.603 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -74.55 -38.19 62.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.077 -172.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.69 -43.58 90.05 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.145 -176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.507 HG12 HD11 ' A' ' 663' ' ' LEU . 13.3 mt -70.76 -32.26 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.161 0.505 . . . . 0.0 110.695 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -72.66 -38.19 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.454 178.42 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -81.71 -62.59 1.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.779 -177.078 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.28 -80.91 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.482 -172.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.727 -1.04 . . . . 0.0 110.674 -171.296 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.635 HD22 ' HE2' ' A' ' 77' ' ' TYR . 23.1 mt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . 0.471 ' HA ' ' HD2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -64.89 -29.83 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.633 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.93 -28.43 62.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.512 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 663' ' ' LEU . 5.0 m-85 -93.14 -10.14 36.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 7.7 mttt -65.73 121.32 14.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 16.6 ptp -91.3 123.12 34.5 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.198 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.78 114.42 16.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.026 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 11.5 t -83.77 94.99 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 109.674 178.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 106.65 18.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.731 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . 0.592 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -85.6 115.28 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.811 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mp -84.94 122.55 38.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.672 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.628 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 1.2 t70 -73.06 95.32 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.171 -175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.562 ' HZ3' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.973 0.416 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -122.3 130.97 53.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 135.47 50.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.17 135.92 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -44.76 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -164.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -69.06 -65.01 2.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.552 -175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -31.73 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.514 0.197 . . . . 0.0 111.16 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.83 44.97 5.29 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.57 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.88 -116.48 1.63 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.861 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.7 OUTLIER -145.98 143.95 29.8 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.271 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.5 mt -75.96 106.44 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.27 0.557 . . . . 0.0 110.351 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' HZ3' ' A' ' 20' ' ' TRP . . . -122.24 14.46 10.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.418 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.9 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.039 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -165.91 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.856 173.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 3.8 m-85 -101.31 148.89 24.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.468 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 4.0 mp -95.81 126.46 41.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.666 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 672' ' ' VAL . 0.4 OUTLIER -113.49 135.34 54.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.038 0.447 . . . . 0.0 110.819 -178.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -92.12 149.15 21.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.159 176.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -135.57 -50.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 110.697 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -133.39 -73.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.27 -8.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.232 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.52 167.7 10.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.695 -175.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.58 129.07 47.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.686 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -125.39 169.06 12.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.389 0.614 . . . . 0.0 111.034 -176.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -123.79 -171.41 2.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 170.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.512 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -62.18 -37.57 85.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.129 0.422 . . . . 0.0 111.396 -175.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -14.01 58.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.744 -177.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.83 -52.3 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 1.2 mt -78.58 83.9 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.393 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.49 157.71 45.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.469 179.129 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 51.9 t -62.18 131.19 48.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m -69.23 -11.29 60.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.999 0.428 . . . . 0.0 110.177 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -41.75 5.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.06 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 64.7 m -84.19 -34.82 23.89 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 9.7 mm100 66.69 13.22 9.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.42 -167.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.93 35.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.392 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.847 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -68.51 95.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.176 -174.611 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 19.5 mt -65.97 -21.08 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.218 0.532 . . . . 0.0 109.965 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -77.31 -13.1 83.94 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.162 175.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -100.04 -5.63 27.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.387 0.613 . . . . 0.0 110.336 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.08 104.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.36 47.27 2.01 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.173 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 129.43 49.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 113.25 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 112.018 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -178.89 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.694 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 79.5 m-85 -131.71 154.8 48.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.439 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 5.0 t -139.96 159.49 42.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.738 173.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -161.15 -63.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.027 0.441 . . . . 0.0 110.656 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.23 13.73 3.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.768 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.26 61.93 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.292 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -113.44 145.04 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.611 0.243 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.17 108.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 161.07 30.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.877 0.37 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.4 p -72.47 176.25 5.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.243 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.66 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -65.88 -33.49 75.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.566 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -80.06 -45.37 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.676 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -65.06 -36.71 85.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.22 -176.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.635 ' HE2' HD22 ' A' ' 663' ' ' LEU . 28.3 t80 -63.69 -44.35 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.228 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.27 -39.59 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.013 0.435 . . . . 0.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.1 -38.72 89.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.485 177.096 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 1.1 mp -75.85 -52.48 10.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.306 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 64.3 m-85 -126.89 -79.73 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.921 0.391 . . . . 0.0 111.232 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.258 -1.301 . . . . 0.0 111.05 -174.84 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' LEU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 110.683 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -41.98 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.024 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -17.66 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.477 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' TYR . . . . . 0.748 ' HD2' ' HB3' ' A' ' 663' ' ' LEU . 51.1 m-85 -100.43 -5.18 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.351 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 12.5 mttp -69.57 117.99 11.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.806 -177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.88 136.69 42.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.632 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.58 138.59 36.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.004 0.43 . . . . 0.0 110.438 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.32 95.0 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.16 112.02 22.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.843 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -89.34 134.82 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.42 133.3 59.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.642 0.258 . . . . 0.0 110.761 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 9.1 t70 -74.8 118.82 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.986 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' THR . . . . . 0.443 HG23 HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HG3' HD22 ' A' ' 35' ' ' LEU . 39.7 mmtt -122.29 131.05 53.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 126.43 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.67 154.04 26.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.38 -5.42 20.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.76 -55.8 1.96 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.501 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 p -96.48 -26.09 15.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.934 0.367 . . . . 0.0 110.709 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.57 2.81 58.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.746 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.03 -159.64 23.47 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -99.88 151.64 21.06 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 44' ' ' HIS . 21.7 mt -67.2 108.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.422 -178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.29 25.96 8.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 1.2 t0 -90.49 -169.18 2.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.021 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -70.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 4.2 m-85 -102.97 143.57 32.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.968 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 21' ' ' LYS . 1.5 pp -100.5 149.78 23.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.37 162.88 22.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.92 149.39 31.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.173 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -143.03 -98.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.447 ' H ' ' HG2' ' A' ' 39' ' ' MET . 3.6 ptp -84.1 52.85 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.423 0.63 . . . . 0.0 110.058 175.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.89 27.85 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.964 178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.36 9.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.3 m-85 -88.11 131.99 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 17.8 m95 -134.65 165.51 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.26 0.552 . . . . 0.0 111.608 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.811 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.7 167.94 20.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 172.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -29.69 34.63 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -172.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -41.6 73.64 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -98.37 -31.39 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.514 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -76.69 69.69 3.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.576 0.703 . . . . 0.0 109.955 177.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -145.38 165.5 28.31 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.342 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 51.0 t -60.75 134.27 56.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.915 174.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -8.86 59.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.529 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.39 -46.0 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -109.47 -13.46 14.57 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.067 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 68.62 22.08 7.7 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.258 174.647 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.68 127.68 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 2.4 mp0 -59.77 97.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.428 0.455 . . . . 0.0 111.34 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -64.8 -23.33 67.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -176.75 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.9 -28.45 66.83 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.583 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -92.1 6.44 46.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.916 -177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.2 mt -120.52 -54.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.27 23.24 22.63 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.185 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 127.32 32.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.337 -0.432 . . . . 0.0 111.317 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.41 96.71 0.08 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.25 165.38 24.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.765 -176.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 81.7 m-85 -123.09 153.77 39.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.149 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -136.21 162.65 32.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 666' ' ' TYR . 15.2 tttp -160.69 -78.48 0.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.59 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 33.73 0.59 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.165 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.77 17.17 80.07 Favored Glycine 0 C--N 1.329 0.189 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.07 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -178.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.18 115.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.984 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.529 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 2.9 mp -131.63 148.73 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.752 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 24.1 p -74.61 173.43 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.79 -46.23 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.225 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.78 -44.96 60.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.677 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -68.01 -37.65 81.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.869 -172.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 33.4 t80 -59.89 -44.0 94.46 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.741 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.23 -36.41 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -67.62 -44.61 77.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.24 -62.15 1.77 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.98 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 63.3 m-85 -107.07 -90.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 -173.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.789 -1.006 . . . . 0.0 111.461 -176.527 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.688 0.28 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.1 32.42 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.452 0.644 . . . . 0.0 110.365 177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -93.91 64.18 3.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.583 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -130.59 61.18 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.761 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -172.42 100.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.903 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.13 174.77 9.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -78.51 122.69 26.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 0.0 110.379 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.73 -4.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.703 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.3 m -149.4 49.07 0.96 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.242 -0.286 . . . . 0.0 111.324 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . 0.46 ' HB3' ' H ' ' A' ' 651' ' ' GLU . 3.4 t80 -162.0 -99.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.759 ' HA ' ' HG3' ' A' ' 654' ' ' GLN . 4.5 pt-20 -77.05 -20.7 55.54 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -166.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -62.69 -29.92 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.26 177.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.82 54.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.362 178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . 0.759 ' HG3' ' HA ' ' A' ' 651' ' ' GLU . 3.5 mt-30 -80.89 74.79 7.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -100.13 150.77 22.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.112 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.05 133.46 39.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.754 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.1 pt -110.41 165.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.09 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.37 147.76 98.81 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.088 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.14 65.55 3.45 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.118 2.545 . . . . 0.0 112.842 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.36 51.03 0.88 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.247 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -88.9 -31.17 18.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.028 0.442 . . . . 0.0 110.333 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.1 48.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.493 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 29.3 mt -95.04 31.65 1.84 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.206 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.49 70.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.647 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -72.45 -26.04 61.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.824 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -97.12 -6.62 34.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.234 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -77.73 149.22 34.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.108 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.424 ' SD ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -121.71 152.89 38.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.101 174.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.3 116.5 31.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.768 0.318 . . . . 0.0 110.307 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -84.26 94.17 3.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.628 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 3.2 m -88.31 113.42 23.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.144 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . 0.572 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -90.67 106.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.091 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.552 ' HB ' ' HG ' ' A' ' 35' ' ' LEU . 1.8 mp -84.95 123.61 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.045 0.45 . . . . 0.0 110.233 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -87.61 138.15 31.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 110.718 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.16 111.18 22.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.891 176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -2.07 31.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 111.022 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.16 102.89 13.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 122.21 -15.24 8.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.259 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.4 m -79.4 -8.95 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.307 0.575 . . . . 0.0 110.628 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.523 ' O ' ' HB2' ' A' ' 683' ' ' LEU . 11.1 mp0 -110.42 102.29 10.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.411 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -23.2 67.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.941 0.401 . . . . 0.0 111.215 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -85.9 2.15 47.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.45 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 680' ' ' GLN . 0.2 OUTLIER -63.69 -47.49 81.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 0.0 110.875 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 172.21 -172.44 44.82 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -85.29 57.56 4.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.214 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 60.51 -129.26 46.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.085 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -99.58 7.24 59.47 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.85 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.27 -53.43 2.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -78.83 75.62 2.0 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 134.09 123.61 2.39 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -92.55 79.33 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 0.0 110.497 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.67 76.8 3.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.706 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -64.29 115.44 7.88 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.963 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 2.5 m -100.86 135.59 42.07 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.798 0.332 . . . . 0.0 110.552 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -80.65 -20.13 66.77 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.321 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -77.41 114.93 4.15 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.438 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.8 mt -113.73 -8.53 13.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.695 0.283 . . . . 0.0 110.927 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -35.96 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.702 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.417 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER 58.81 -114.49 0.74 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.268 -177.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HD2' ' CE2' ' A' ' 42' ' ' TYR . 10.1 mmtt -120.54 124.02 44.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -79.78 130.81 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.48 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.58 147.14 26.55 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.92 2.4 40.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.82 -55.94 1.27 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.654 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -94.54 -18.47 21.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.186 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.27 72.24 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.177 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.51 -140.07 11.21 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.843 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 148.49 38.15 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 48.3 mt -76.84 109.17 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.109 0.481 . . . . 0.0 110.445 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.58 14.36 23.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.389 175.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.57 175.49 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.449 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' HD1' ' A' ' 34' ' ' PHE . 8.1 tpt85 -76.69 -68.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 110.522 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' HD2' HG12 ' A' ' 672' ' ' VAL . 3.3 m-85 -101.86 123.69 46.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.465 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' HB ' ' A' ' 673' ' ' ILE . 1.3 pp -98.66 147.03 25.25 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -120.27 161.08 21.72 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.546 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.628 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -110.32 140.14 44.81 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.895 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.61 123.27 7.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.672 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 69.5 -72.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.969 0.793 . . . . 0.0 110.706 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -166.13 -2.1 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.715 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.17 170.01 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.989 -0.444 . . . . 0.0 111.394 -174.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' CE2' ' HD2' ' A' ' 21' ' ' LYS . 14.2 m-85 -93.01 135.32 34.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.174 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 38' ' ' ALA . 3.8 m95 -137.63 179.05 6.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.236 0.541 . . . . 0.0 111.139 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -147.87 -178.32 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.63 -54.81 10.83 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -170.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -77.76 -20.87 52.64 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -170.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 19.7 m -96.64 -36.04 10.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 118.181 0.446 . . . . 0.0 111.274 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.85 87.18 5.32 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -144.47 176.06 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.805 -178.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.9 t -71.91 137.61 47.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.484 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -79.52 -4.74 52.73 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.191 0.519 . . . . 0.0 110.227 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.25 -37.48 5.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.757 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 96.7 m -90.77 -34.96 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.201 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.41 9.53 6.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.554 -170.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.95 122.28 22.32 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.395 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.615 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 27.8 mt-30 -54.95 102.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.732 0.645 . . . . 0.0 111.156 -176.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.517 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -69.07 -22.88 63.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.285 -177.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -10.48 85.71 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.86 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.43 3.34 43.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.479 0.657 . . . . 0.0 110.133 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.01 -46.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.782 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.2 22.0 31.06 Favored Glycine 0 C--N 1.315 -0.638 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.616 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.13 127.31 32.38 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.777 0.322 . . . . 0.0 111.302 -178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.42 88.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.988 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.52 171.39 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.578 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' HE1' ' HG3' ' A' ' 74' ' ' ARG . 89.3 m-85 -131.31 170.75 14.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.009 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 t -146.02 179.61 7.36 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.932 0.396 . . . . 0.0 110.652 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -166.19 -63.89 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.8 36.65 2.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.231 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.02 -24.62 8.75 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.062 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.82 138.51 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.558 0.218 . . . . 0.0 110.65 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.41 108.97 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.987 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD22 HD13 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -118.87 149.61 41.26 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -178.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 29.9 p -65.01 170.07 4.73 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG3' ' HE1' ' A' ' 65' ' ' TYR . 7.8 ttp180 -49.69 -49.48 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.689 -177.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -78.91 -33.78 45.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.215 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.858 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -67.2 -38.61 85.63 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.5 -43.64 89.14 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.849 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.476 ' H ' HG13 ' A' ' 78' ' ' ILE . 2.3 mt -68.12 -35.9 73.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.627 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -36.59 60.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.853 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -83.12 -61.02 1.97 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.981 -175.104 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.13 -91.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.357 -1.246 . . . . 0.0 111.356 -175.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.879 0.371 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.2 tp -122.92 126.6 47.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.052 0.454 . . . . 0.0 110.004 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.25 63.45 1.17 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.443 0.639 . . . . 0.0 109.327 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -78.29 81.43 4.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.614 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -61.03 103.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.408 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -67.22 138.39 56.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.643 -177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -78.9 111.82 15.45 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.956 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.88 0.23 10.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.11 120.27 20.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.39 137.41 52.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.38 -39.96 67.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.496 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -60.83 -50.1 74.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.609 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.0 OUTLIER -118.14 83.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.764 178.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -97.78 -6.38 32.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.188 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -83.39 164.44 19.96 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 85.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.11 0.481 . . . . 0.0 111.571 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.21 163.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.331 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.71 131.22 77.21 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.448 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.13 -32.61 93.86 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.911 2.407 . . . . 0.0 112.763 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 153.49 32.39 0.03 OUTLIER Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.972 -1.109 . . . . 0.0 113.971 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.43 -12.94 60.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.219 0.51 . . . . 0.0 110.221 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.91 129.29 29.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.063 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 6.6 mt -90.63 59.43 4.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -43.66 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.335 0.588 . . . . 0.0 110.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -33.75 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.227 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -81.51 -3.41 53.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.312 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.47 146.83 30.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.208 0.528 . . . . 0.0 111.348 -176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -137.28 125.41 23.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.964 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.31 145.4 27.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.042 -175.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.8 t -92.02 106.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.333 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.649 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -88.72 109.06 19.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.06 118.66 31.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.261 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.546 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -89.4 125.99 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.302 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.05 118.48 30.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.572 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 679' ' ' SER . 0.1 OUTLIER -80.22 73.57 7.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.923 -179.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.49 ' H ' ' HG3' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -75.63 -66.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.702 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.71 72.58 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 68.63 -100.12 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.492 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . 0.498 ' HA ' HG22 ' A' ' 675' ' ' THR . 0.6 OUTLIER -101.44 -35.2 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.784 0.326 . . . . 0.0 110.64 176.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 0.0 OUTLIER -174.11 141.55 0.77 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.32 -177.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.85 -27.9 67.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.258 0.551 . . . . 0.0 110.645 177.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 13.29 22.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.763 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 0.8 OUTLIER -86.47 -32.17 20.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.293 179.051 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 86.37 -72.86 2.59 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.354 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 94.0 17.01 42.23 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.328 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 114.2 -156.18 15.81 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.328 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -159.84 -59.09 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.25 91.74 3.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -116.01 -112.39 2.78 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 179.5 -65.79 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -112.39 136.71 51.53 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 2.9 tpt -78.76 78.93 5.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 110.707 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -133.78 78.32 0.36 Allowed Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.422 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 57.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.882 0.372 . . . . 0.0 111.982 -175.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -89.99 16.24 57.49 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.285 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -170.22 116.91 0.67 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -160.14 -174.54 4.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.642 0.258 . . . . 0.0 110.718 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.593 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -91.7 -33.45 15.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 54.21 -124.01 2.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.921 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -110.29 145.88 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.889 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.83 139.05 35.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.832 0.349 . . . . 0.0 110.588 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -95.46 155.7 16.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.838 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.27 -2.68 20.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 175.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 47' ' ' CYS . . . -95.92 -47.58 2.44 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.966 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 p -99.26 -46.85 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.84 6.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.015 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.02 -146.64 20.63 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.222 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 19' ' ' SER . 1.1 mtmt -92.91 145.27 24.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.684 HD12 ' HB3' ' A' ' 21' ' ' LYS . 95.7 mt -76.28 108.52 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.788 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.85 15.03 29.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.438 0.637 . . . . 0.0 110.23 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.5 175.06 11.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.32 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -65.0 1.06 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.546 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -101.94 126.25 48.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.282 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.12 148.62 22.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.44 145.21 51.16 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.976 0.417 . . . . 0.0 111.384 -173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.649 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -91.78 131.35 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.403 173.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -119.55 -84.18 0.66 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.073 0.463 . . . . 0.0 110.671 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtt -85.41 -47.48 9.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.894 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 41' ' ' SER . 6.3 p-10 -178.59 -15.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.663 -173.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -103.37 171.01 7.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.687 -177.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -91.36 131.52 36.8 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 5.1 m95 -130.67 174.82 9.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.335 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -137.4 170.67 15.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -38.09 17.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -171.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -35.46 63.09 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -174.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB3' ' HA3' ' A' ' 25' ' ' GLY . 58.7 m -97.22 -32.45 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.535 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -75.13 73.34 2.27 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 109.876 178.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 1.5 mtmt -143.86 178.6 7.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.928 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 19.5 t -68.83 139.72 55.22 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.122 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -11.47 59.67 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.107 0.48 . . . . 0.0 110.11 174.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -52.54 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.716 -176.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -111.51 -12.96 13.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.043 -178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.35 31.03 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.449 175.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' LYS . . . -67.01 148.17 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.743 ' HB3' ' HB2' ' A' ' 59' ' ' ASP . 6.0 mm100 -63.7 88.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.121 0.263 . . . . 0.0 111.357 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.926 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 2.0 mp -72.56 -22.33 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -178.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.21 0.43 78.4 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.429 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -101.98 12.74 36.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.307 0.575 . . . . 0.0 111.026 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.21 139.63 32.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.994 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.86 28.72 4.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.337 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.23 130.17 46.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.618 0.247 . . . . 0.0 110.632 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 137.03 56.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.488 . . . . 0.0 111.516 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -176.54 3.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.808 177.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.622 ' HE2' ' HB3' ' A' ' 74' ' ' ARG . 54.6 m-85 -129.85 162.44 28.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.98 0.419 . . . . 0.0 110.655 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -148.77 174.51 12.12 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.363 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HE1' ' A' ' 77' ' ' TYR . 15.8 tttp -158.2 -67.28 0.09 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.479 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.45 38.67 0.98 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.351 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.33 29.03 73.89 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.934 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.0 136.07 53.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.469 0.176 . . . . 0.0 110.838 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.468 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -78.96 108.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.451 176.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.77 150.63 51.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.115 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 22.9 p -73.28 164.62 26.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.08 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.622 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.52 -38.04 76.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.515 -178.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -72.03 -44.15 63.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.142 -177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.668 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.5 OUTLIER -73.48 -37.23 65.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.62 -174.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 67' ' ' LYS . 22.7 t80 -57.84 -47.19 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.645 0.26 . . . . 0.0 110.97 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.87 -29.16 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.132 0.492 . . . . 0.0 110.847 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -74.94 -32.31 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.854 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.87 -50.27 6.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -114.18 -95.33 0.46 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.064 0.459 . . . . 0.0 110.947 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.038 -175.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.179 0.514 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.9 153.25 43.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.559 -176.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -116.83 107.98 15.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.825 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -78.66 106.4 10.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.414 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -123.23 117.47 25.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.719 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' A' ' 647' ' ' ASP . 0.1 OUTLIER -108.01 -142.42 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.785 -177.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' A' ' 646' ' ' GLN . 6.9 t0 -79.83 73.15 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.185 0.517 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -75.27 102.69 2.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.057 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.81 111.0 5.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -120.19 -9.77 9.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.228 -174.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -62.12 -25.62 67.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.645 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -84.76 -17.6 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.984 0.421 . . . . 0.0 111.027 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.26 56.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.513 . . . . 0.0 110.58 -177.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -84.79 85.21 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.605 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . 0.418 ' HB2' HG12 ' A' ' 657' ' ' ILE . 0.0 OUTLIER -68.21 122.55 18.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.98 -177.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.48 57.24 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.312 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.418 HG12 ' HB2' ' A' ' 655' ' ' TRP . 2.2 pt -93.26 -157.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 7.4 t0 -95.68 112.35 58.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 8.9 Cg_exo -72.99 -6.4 18.93 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.188 2.592 . . . . 0.0 112.624 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -111.48 -1.03 27.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.105 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -77.4 -39.27 47.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -93.21 117.89 30.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.448 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 0.4 OUTLIER -116.27 16.11 15.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.472 174.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.7 -21.7 60.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.951 -174.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.62 -18.77 43.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.164 0.507 . . . . 0.0 110.18 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.448 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 50.0 m-85 -90.35 -5.18 56.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.193 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.84 154.77 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.016 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.43 147.22 42.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.276 175.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -76.51 111.39 11.94 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.254 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t -87.06 96.93 5.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.081 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.2 m -87.64 103.36 15.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.974 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -89.47 116.1 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.58 128.44 47.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 10.0 t70 -71.22 100.46 2.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.911 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.41 70.08 4.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.739 -178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -79.87 -12.18 59.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.906 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -75.59 101.2 4.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.998 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 130.29 -30.44 3.48 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.007 -175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -21.06 41.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.196 0.522 . . . . 0.0 110.182 176.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.508 ' H ' ' HG2' ' A' ' 680' ' ' GLN . 0.0 OUTLIER -72.25 104.22 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.025 176.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.24 64.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.798 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -81.74 -21.65 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 0.0 110.451 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.45 -46.25 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -100.63 13.13 59.63 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.625 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -127.15 26.77 4.95 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.47 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -80.78 -65.2 1.73 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.882 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -124.61 28.75 5.16 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.149 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -58.1 3.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.032 0.444 . . . . 0.0 110.775 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 119.29 179.84 16.69 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.806 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -95.24 63.42 1.43 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.625 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -127.72 149.84 50.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.68 0.276 . . . . 0.0 110.681 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.29 63.32 0.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.018 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -124.38 112.6 1.82 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.553 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.89 120.78 25.64 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . 155.22 -175.37 33.21 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.779 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 83.29 -37.21 2.73 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.204 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.4 mt -85.71 145.73 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 0.0 110.443 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.41 -21.87 16.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.484 -178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.427 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.8 m0 54.29 -112.15 0.68 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.601 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -142.78 134.66 26.93 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.6 129.54 34.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.028 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.546 ' HB3' HG13 ' A' ' 30' ' ' ILE . 29.3 p -101.95 154.82 18.6 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.273 0.558 . . . . 0.0 111.716 -174.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.87 -45.98 19.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.824 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.22 -63.87 4.2 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.209 -0.519 . . . . 0.0 113.368 -172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.07 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.488 . . . . 0.0 110.27 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 23.84 27.38 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.69 -138.78 4.74 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -116.08 139.85 49.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 21' ' ' LYS . 25.9 mt -66.63 107.77 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.184 0.516 . . . . 0.0 110.507 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.41 16.04 25.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.16 -171.89 2.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.78 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -88.85 -70.72 0.63 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.234 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -100.23 126.39 46.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.945 0.402 . . . . 0.0 111.397 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.38 149.43 24.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.444 176.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.67 149.44 49.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.637 -178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.1 OUTLIER -91.62 138.78 31.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.526 177.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -152.94 121.89 6.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.125 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER 72.68 -64.23 0.4 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.067 0.854 . . . . 0.0 111.293 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -165.34 -18.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.547 -172.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.7 170.56 8.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.007 0.432 . . . . 0.0 111.724 -171.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.13 127.15 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.484 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.685 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -128.38 171.57 11.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.256 0.551 . . . . 0.0 110.901 177.385 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.732 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.0 p80 -131.31 -172.42 2.84 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.3 -45.59 69.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -7.08 55.35 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.732 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.42 -57.83 2.7 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 43' ' ' TRP . 16.5 tp -75.2 93.21 2.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.707 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.755 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -144.78 166.64 24.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.07 177.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 t -66.92 127.97 34.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.817 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.33 0.92 26.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.853 0.359 . . . . 0.0 110.92 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.506 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -102.34 -51.66 3.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.79 -177.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -110.59 -6.32 14.89 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.385 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.99 15.78 4.5 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.556 0.535 . . . . 0.0 111.83 176.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' O ' HD13 ' A' ' 57' ' ' LEU . . . -64.6 122.53 17.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.755 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 11.4 mm-40 -61.63 120.67 11.05 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.45 0.469 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.83 14.04 18.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.248 0.547 . . . . 0.0 110.915 -174.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.45 -49.52 4.13 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.817 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.66 70.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.776 0.322 . . . . 0.0 111.145 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.41 ' HB ' ' H ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -124.91 -102.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.0 0.428 . . . . 0.0 111.682 -178.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' H ' ' HB ' ' A' ' 60' ' ' ILE . . . 157.8 -51.55 0.41 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.83 132.2 34.83 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.53 154.13 41.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.268 0.556 . . . . 0.0 112.25 -175.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.81 160.71 27.25 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.546 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -127.13 159.53 33.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.239 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 t -144.73 158.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 111.012 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -164.51 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.795 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.72 18.76 8.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.252 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.25 23.87 77.04 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.22 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.7 mtm -130.91 147.59 52.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.82 113.21 21.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 5.0 mp -122.64 144.62 49.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.144 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 16.9 p -73.96 164.6 26.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.039 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' HE ' ' HB2' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -50.59 -45.13 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.647 178.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.05 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.13 -175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.523 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -80.32 -47.54 14.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.815 -175.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -59.48 -50.57 73.4 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.556 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.6 -33.92 64.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.076 0.465 . . . . 0.0 111.026 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 79' ' ' ARG . 14.4 ttm105 -73.84 -45.99 47.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.3 -51.58 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.835 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -114.89 -100.52 0.43 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -175.563 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.387 0.137 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.07 -35.37 9.71 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -172.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.629 HE21 ' HA ' ' A' ' 647' ' ' ASP . 0.3 OUTLIER -78.94 80.49 5.28 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.171 0.986 . . . . 0.0 111.695 -174.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -63.83 -44.71 92.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.864 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -80.87 1.27 31.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.968 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.39 38.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.133 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.629 ' HA ' HE21 ' A' ' 643' ' ' GLN . 1.8 t70 -59.45 120.35 9.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -177.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.7 m -103.27 160.69 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 -177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.17 92.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.685 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.65 -24.25 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.359 0.6 . . . . 0.0 109.54 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.84 -17.6 64.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.904 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -73.1 -25.52 60.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.943 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.9 47.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.263 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -100.58 53.39 0.87 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.243 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -89.13 176.08 7.12 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 82.84 4.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.008 0.433 . . . . 0.0 111.144 -177.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 2.0 pt -73.16 177.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.548 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.69 115.35 8.55 Favored Pre-proline 0 N--CA 1.463 0.197 0 O-C-N 123.512 0.508 . . . . 0.0 110.397 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.96 -45.59 35.51 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.287 2.658 . . . . 0.0 113.362 -173.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -177.87 46.6 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.851 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.3 -22.12 30.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.796 0.331 . . . . 0.0 111.211 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -102.34 115.57 30.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 1.2 tp -107.76 1.75 23.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -69.78 -27.76 65.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.545 179.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -69.8 -25.2 63.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.48 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -100.1 -0.89 38.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.419 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.654 ' HD3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -74.49 132.57 42.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.139 -175.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.508 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 2.0 mtm -102.1 85.38 2.66 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.257 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.57 118.69 16.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.089 0.471 . . . . 0.0 110.735 -177.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.1 t -84.62 124.74 40.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.688 -173.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 138.91 35.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.79 142.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.62 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 2.2 mp -107.76 123.27 63.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.49 123.23 28.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.531 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.57 119.45 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.189 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 -37.55 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.604 -175.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.46 -173.8 3.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.241 0.543 . . . . 0.0 110.205 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 78.96 -75.33 2.05 Favored Glycine 0 C--N 1.311 -0.836 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.793 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -47.43 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -177.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.1 49.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.164 0.507 . . . . 0.0 111.051 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -15.49 48.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.255 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -77.54 -18.82 56.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.768 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.9 mt -87.35 93.34 9.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 -177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 118.78 -132.27 9.59 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.268 178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 159.95 -83.23 0.13 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.233 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 79.98 43.99 9.42 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.06 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 62.72 -98.77 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.4 -0.429 . . . . 0.0 112.649 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -15.27 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.209 0.528 . . . . 0.0 110.626 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 143.16 102.28 0.42 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.227 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.25 74.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -120.86 127.87 52.3 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -71.19 113.12 7.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.54 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -68.05 137.43 31.7 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.538 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . 0.61 ' HB3' ' HD1' ' A' ' 20' ' ' TRP . 1.4 m -75.68 60.09 1.24 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.053 0.454 . . . . 0.0 111.99 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -81.7 108.38 2.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.946 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 60.77 30.33 72.41 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.716 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 909' ' ' SER . 0.1 OUTLIER -96.48 -158.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.761 0.315 . . . . 0.0 111.31 -175.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.468 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.64 -22.06 22.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.61 ' HD1' ' HB3' ' A' ' 909' ' ' SER . 2.1 m0 56.05 -111.06 0.59 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.742 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -122.74 123.19 40.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.985 177.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.55 128.24 34.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.333 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 p -93.91 154.75 17.53 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.685 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.11 -44.25 10.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -170.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -69.82 1.28 Allowed Glycine 0 C--N 1.328 0.129 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.831 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -46.27 90.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.077 0.465 . . . . 0.0 110.363 175.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.36 36.14 5.24 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.72 -117.55 2.25 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.97 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -140.44 137.61 34.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.779 0.323 . . . . 0.0 110.308 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.983 HG23 ' HB3' ' A' ' 44' ' ' HIS . 5.7 mt -72.17 108.93 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.383 0.611 . . . . 0.0 110.691 178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.44 21.34 17.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.096 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.531 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -87.8 5.54 39.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.066 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.6 -63.7 0.42 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.707 0.629 . . . . 0.0 110.462 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.17 127.97 47.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.606 ' HB3' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -97.29 159.46 14.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -177.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.92 134.98 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.822 -176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -100.59 103.39 14.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 177.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -107.4 -110.37 0.3 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 39' ' ' MET . 0.7 OUTLIER -78.69 65.33 3.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.63 0.253 . . . . 0.0 111.537 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 t70 74.59 -16.98 0.5 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.57 171.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.35 170.61 8.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -91.42 130.66 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.573 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 11.1 m95 -132.21 168.87 17.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.251 0.548 . . . . 0.0 111.208 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.983 ' HB3' HG23 ' A' ' 30' ' ' ILE . 1.4 p80 -135.56 -169.73 2.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 174.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.679 ' HB3' ' HG3' ' A' ' 56' ' ' GLN . 53.7 m -70.15 -17.6 63.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.167 0.439 . . . . 0.0 111.676 -174.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 46' ' ' ARG . 1.8 mtm-85 -100.25 -7.63 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.688 0.28 . . . . 0.0 111.034 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -100.78 -55.6 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.845 0.355 . . . . 0.0 110.049 176.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -76.23 77.76 3.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.982 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.8 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -144.56 161.08 40.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.139 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.7 t -65.89 132.42 48.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.709 176.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.6 m -70.16 -9.45 55.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.185 0.517 . . . . 0.0 110.498 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 -47.16 3.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.05 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 94.5 m -80.42 -35.62 34.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.517 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.9 mm100 63.04 26.5 15.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.106 -174.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.65 154.88 17.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.922 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 45' ' ' SER . 3.9 mp0 -65.05 97.95 0.27 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 111.212 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.8 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -77.75 -20.3 53.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.419 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.64 -17.18 71.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.155 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.07 38.27 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 111.52 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -140.09 143.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.318 . . . . 0.0 110.77 176.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.64 94.93 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.787 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.46 118.28 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.654 ' HB2' ' HD3' ' A' ' 667' ' ' LYS . 1.2 m -73.05 161.54 30.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.042 0.449 . . . . 0.0 111.394 -175.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.33 169.08 18.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 98.0 m-85 -129.71 156.86 43.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.175 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 t -143.13 168.98 18.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -166.66 -60.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.34 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.41 20.64 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.441 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.6 24.04 66.07 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.78 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 25.3 mtm -115.99 151.54 35.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.37 109.04 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.948 0.404 . . . . 0.0 110.311 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mt -131.5 156.0 46.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.931 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -72.01 170.97 12.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.586 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -62.42 -25.43 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.761 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -82.28 -47.8 11.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.485 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -65.61 -42.5 91.5 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.467 -175.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.7 -47.79 84.71 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.805 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.603 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 64.3 mt -69.29 -37.73 76.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.057 0.456 . . . . 0.0 110.479 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 79' ' ' ARG . 3.5 ttp-105 -64.14 -41.93 97.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.567 176.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -63.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.82 -64.09 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.603 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -1.151 . . . . 0.0 111.842 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 95.23 0.01 OUTLIER 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.569 0.543 . . . . 0.0 111.457 178.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.16 -61.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -119.2 3.32 11.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.611 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.56 124.16 15.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.944 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 55.14 41.31 31.71 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.177 0.513 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -74.35 99.82 3.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 7.9 m -122.93 179.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.912 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 135.18 43.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.4 140.53 39.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.893 -176.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -69.61 -14.62 62.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -79.63 -16.24 56.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.63 89.41 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.515 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -108.21 49.46 0.81 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.368 0.604 . . . . 0.0 110.371 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 6.6 p-90 -89.7 -155.78 0.38 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.795 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.64 76.2 4.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.954 0.407 . . . . 0.0 110.519 176.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.479 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.2 OUTLIER -88.25 -8.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.152 0.501 . . . . 0.0 110.18 -178.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.03 125.46 85.26 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.756 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.57 -1.98 11.11 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 146.17 85.65 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.796 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.89 62.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.019 0.437 . . . . 0.0 110.582 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -76.75 116.07 17.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.98 177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER -93.07 50.04 1.49 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.849 0.356 . . . . 0.0 111.336 -175.487 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -53.32 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.109 0.48 . . . . 0.0 110.738 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . 0.412 ' H ' ' HG2' ' A' ' 665' ' ' GLN . 4.5 mm-40 -71.81 -15.37 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.81 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 3.3 m-30 -86.97 -14.25 42.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -73.22 123.74 24.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.483 ' HE2' ' HB ' ' A' ' 66' ' ' THR . 12.5 ptp -87.04 106.0 17.54 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.25 111.93 3.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.238 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -83.14 94.82 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.314 0.578 . . . . 0.0 110.761 -173.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -92.02 113.58 25.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.327 178.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . 0.453 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -87.68 137.71 20.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.661 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.947 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 2.3 mp -110.26 132.64 58.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 7.5 t70 -70.14 93.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 2.1 m 75.12 158.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.116 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.84 ' HA ' HD21 ' A' ' 35' ' ' LEU . 1.1 ptmm? -67.54 -15.99 63.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.893 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -92.32 -152.8 0.32 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.077 0.465 . . . . 0.0 111.51 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 100.92 -49.06 1.1 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.236 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.23 43.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.239 0.542 . . . . 0.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.26 90.97 5.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.14 37.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.882 -176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -103.53 2.12 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.571 . . . . 0.0 109.8 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.4 64.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.384 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -115.11 -37.6 1.11 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.569 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 112.09 -121.07 5.55 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.075 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 82.07 30.55 34.36 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.642 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 80.5 -71.9 2.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.752 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 3.8 m -121.18 126.47 49.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -87.64 31.98 4.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.969 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 83.67 -78.53 2.0 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.95 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -105.02 147.96 27.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -77.19 117.51 18.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 123.71 146.82 7.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.16 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.1 m -78.02 106.65 10.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.765 0.317 . . . . 0.0 110.563 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -70.85 149.2 45.96 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 75.47 67.67 1.68 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.59 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -79.61 10.7 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.594 -173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.78 -24.7 19.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.404 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 48.61 -113.72 0.59 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -118.93 154.96 32.15 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -125.49 119.03 27.11 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.339 -172.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 4.8 p -88.87 154.88 19.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.433 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.29 7.13 45.6 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -104.47 -81.86 1.54 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.659 -175.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 15.7 p -82.17 -105.11 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.584 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -79.79 -16.23 77.7 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.135 -171.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.563 ' HA2' ' O ' ' A' ' 23' ' ' CYS . . . 77.76 12.34 84.55 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.827 -178.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -142.16 102.48 4.12 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' LYS . 63.0 mt -76.35 107.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.454 0.645 . . . . 0.0 110.998 -175.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.08 18.79 21.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.854 171.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -83.08 -177.9 6.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.86 -1.063 . . . . 0.0 110.257 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.673 ' O ' ' HA ' ' A' ' 675' ' ' THR . 0.0 OUTLIER -82.25 -72.21 0.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -101.78 153.2 20.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.828 -174.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.947 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 10.9 mt -100.17 157.59 16.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.085 177.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 48' ' ' LEU . 12.1 mt -137.3 135.14 36.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.704 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.6 OUTLIER -97.51 142.32 29.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.581 174.651 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -127.24 -77.73 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.083 0.468 . . . . 0.0 110.276 176.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -100.38 -47.96 4.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.31 -22.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.269 -175.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.9 164.47 13.65 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 111.37 -172.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 13.8 m-85 -83.48 127.3 33.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.545 173.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.482 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 12.7 m95 -128.01 -178.88 4.7 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.242 0.544 . . . . 0.0 110.399 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.7 p80 -145.75 178.21 8.33 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -31.37 67.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.82 -18.63 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -100.22 -40.66 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.238 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.07 65.54 5.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.635 0.731 . . . . 0.0 110.563 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 164.1 20.5 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.064 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 43.5 t -62.1 139.87 58.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.185 0.516 . . . . 0.0 110.784 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.51 -8.0 59.41 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.559 176.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.41 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -113.99 -51.84 2.76 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.782 -176.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 m -92.32 -22.61 19.62 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.505 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 67.43 30.85 6.68 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.277 -178.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.44 141.35 28.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -73.64 82.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.935 0.398 . . . . 0.0 110.445 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD21 ' SG ' ' A' ' 73' ' ' CYS . 98.1 mt -65.08 -19.55 66.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.408 -176.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.497 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -83.16 -20.38 60.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.515 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.23 -17.32 19.03 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.838 0.828 . . . . 0.0 110.293 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 27.1 mt -101.86 143.63 14.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 114.448 -1.251 . . . . 0.0 108.819 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.5 56.96 1.63 Allowed Glycine 0 CA--C 1.523 0.59 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.494 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 137.58 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.791 0.329 . . . . 0.0 111.562 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.43 79.27 5.59 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 158.14 36.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.228 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -118.92 164.38 15.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.965 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.483 ' HB ' ' HE2' ' A' ' 668' ' ' MET . 3.3 t -152.78 168.55 25.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.183 0.516 . . . . 0.0 111.282 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.596 ' HD3' ' HB3' ' A' ' 81' ' ' PHE . 1.9 tttp -140.16 -67.04 0.44 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.425 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.92 25.07 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.107 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.38 15.31 76.74 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.424 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 mtt -89.95 133.68 34.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -85.76 113.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 80' ' ' LEU . 1.6 mp -142.39 158.58 43.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.266 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.429 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.0 m -85.36 -170.26 3.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.084 0.469 . . . . 0.0 110.848 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 74' ' ' ARG . 5.2 mmt180 -65.93 -56.21 12.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.11 -172.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -43.49 40.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 111.509 -172.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -33.94 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.229 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 24.6 t80 -66.91 -43.02 84.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.535 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 663' ' ' LEU . 27.1 mm -61.9 -40.19 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.33 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -46.97 75.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.844 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -73.66 -57.49 3.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.946 -175.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.596 ' HB3' ' HD3' ' A' ' 67' ' ' LYS . 96.9 m-85 -107.87 -62.3 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 0.0 111.703 -175.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.421 -174.15 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 120.589 0.233 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.05 -18.96 8.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 110.767 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -116.91 122.14 43.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -161.96 -31.75 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.058 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 66.15 77.19 0.29 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.907 0.754 . . . . 0.0 111.634 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.03 77.26 0.44 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.146 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.67 109.87 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.015 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.7 m -97.99 8.95 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.949 -173.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.2 115.63 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.32 -10.26 57.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.032 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.909 ' HA ' ' HG3' ' A' ' 654' ' ' GLN . 22.1 mm-40 -63.76 -28.88 70.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.183 0.516 . . . . 0.0 110.329 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -69.55 -24.99 63.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.345 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.62 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.004 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . 0.909 ' HG3' ' HA ' ' A' ' 651' ' ' GLU . 1.0 OUTLIER -91.54 -5.54 53.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . 0.494 ' CZ3' HG23 ' A' ' 657' ' ' ILE . 1.4 p-90 -100.77 172.32 7.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.145 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.13 116.97 33.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.494 HG23 ' CZ3' ' A' ' 655' ' ' TRP . 0.2 OUTLIER -115.13 179.56 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.247 176.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -67.24 144.31 98.08 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.243 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.51 -31.37 48.46 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.769 2.313 . . . . 0.0 111.992 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -118.54 55.44 0.59 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -65.44 -23.24 66.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 111.346 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -100.95 16.8 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.155 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . . . . . . . . . 90.4 mt 58.94 33.73 23.21 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.662 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -60.76 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.193 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -80.99 -11.55 59.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.836 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -75.95 -35.29 59.76 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.127 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -69.65 133.73 47.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.894 177.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.57 121.82 34.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.242 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -73.99 105.41 5.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.547 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 26.4 t -82.57 107.61 14.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.379 0.609 . . . . 0.0 110.147 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -90.64 106.82 18.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.987 178.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 14.9 t -87.21 115.89 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.501 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.409 HG23 ' CG ' ' A' ' 676' ' ' LYS . 1.3 mp -84.75 112.58 22.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.128 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.91 76.25 7.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.754 177.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 42.09 42.35 2.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.702 -176.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -102.75 -13.44 17.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.523 -175.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . 0.57 ' HA ' ' OE1' ' A' ' 680' ' ' GLN . 0.6 OUTLIER -77.64 81.71 4.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.419 0.628 . . . . 0.0 111.031 -175.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 163.06 -27.42 0.23 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.009 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -1.22 57.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.025 0.441 . . . . 0.0 111.027 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.57 ' OE1' ' HA ' ' A' ' 677' ' ' ASP . 1.1 pt20 -65.53 111.24 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.61 -175.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.25 -3.98 52.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.423 175.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -84.47 5.27 28.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.22 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 156.43 32.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.016 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -82.1 79.85 1.82 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.938 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -175.55 174.48 46.87 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 154.06 -132.86 3.69 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.047 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -154.0 54.07 0.44 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.79 118.82 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 177.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 119.72 -113.4 2.47 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.986 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -115.81 86.88 0.42 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.65 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -88.26 132.71 34.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.001 0.429 . . . . 0.0 110.7 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 3.7 ttm -100.01 -20.93 15.83 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 97.82 -65.35 0.85 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 66.18 4.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 110.097 176.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -110.55 104.54 1.8 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.444 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 118.58 148.38 8.45 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.98 -0.629 . . . . 0.0 111.719 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -121.75 1.84 9.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -178.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -34.37 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 29' ' ' LYS . 1.5 m0 56.98 -104.74 0.24 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.676 0.61 . . . . 0.0 111.044 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 0.6 OUTLIER -133.16 142.52 48.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.91 179.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.91 134.38 37.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.477 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.29 153.98 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.485 0.66 . . . . 0.0 111.646 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.85 -3.49 26.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.004 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.09 -55.41 1.2 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.528 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -101.27 -28.16 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.216 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.59 -12.52 59.67 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.382 176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.44 -157.05 20.72 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.782 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' CE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -100.0 136.35 40.04 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 35' ' ' LEU . 5.7 mt -71.69 108.9 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.115 0.483 . . . . 0.0 110.091 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . . . -122.08 15.13 10.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.6 -91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.038 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -176.93 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.56 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -99.7 131.57 45.6 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 HD13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -94.86 141.91 28.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.691 178.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.857 HD13 ' HA3' ' A' ' 58' ' ' GLY . 28.7 mt -123.24 151.02 42.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.983 0.42 . . . . 0.0 111.105 -176.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.591 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -119.05 105.81 11.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.194 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 1.029 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -78.66 -44.37 23.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.104 0.478 . . . . 0.0 110.887 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtm -148.18 -64.47 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.28 -177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -146.11 -7.97 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.178 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.66 170.04 9.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.669 0.271 . . . . 0.0 111.024 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -98.99 132.43 44.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -135.83 176.8 8.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.942 0.401 . . . . 0.0 110.786 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -139.12 179.62 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -40.22 64.84 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -171.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.78 -12.71 44.29 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 m -101.49 -36.12 8.93 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.495 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.029 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.78 73.69 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.385 0.612 . . . . 0.0 110.937 -178.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 1.4 mtmt -132.2 165.57 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.999 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 50.8 t -59.4 136.92 58.12 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 173.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 m -77.35 0.04 23.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 0.0 110.388 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 -36.85 3.56 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.959 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 99.5 m -95.88 -31.19 13.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 111.621 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.71 24.19 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.114 -171.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.96 134.76 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.332 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -65.83 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 111.324 -175.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 56.2 mt -69.05 -21.18 64.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.661 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.857 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -87.28 -3.75 81.68 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.537 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -100.3 2.9 43.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.106 0.955 . . . . 0.0 109.814 177.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.48 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 4.5 mt -132.23 145.9 33.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.521 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.66 57.99 2.1 Favored Glycine 0 C--N 1.319 -0.416 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.525 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -98.05 115.64 28.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.002 0.43 . . . . 0.0 111.436 -174.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 m -75.02 81.42 2.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.692 172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HA ' ' A' ' 667' ' ' LYS . 0.5 OUTLIER -70.32 144.15 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.011 -178.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -112.39 146.04 39.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 t -134.11 166.35 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.049 0.452 . . . . 0.0 110.813 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.9 -63.67 0.47 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.254 -177.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.86 42.45 1.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.305 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 66.05 28.22 73.5 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.667 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.74 131.84 55.49 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -177.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.62 107.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.025 0.441 . . . . 0.0 110.585 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 1.2 mt -129.9 157.24 42.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.802 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.8 p -74.38 177.11 6.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.544 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -59.75 -42.12 92.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.586 -178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -35.75 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.877 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -70.03 -37.13 75.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.615 -175.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -57.03 -45.84 82.83 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.567 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.32 -40.64 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 0.0 110.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -32.13 71.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.8 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.47 -62.6 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.063 0.458 . . . . 0.0 110.906 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -112.9 -82.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.492 -1.171 . . . . 0.0 111.385 -176.349 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.94 109.34 1.04 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -78.71 -34.88 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -74.88 147.88 40.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 646' ' ' GLN . 7.8 t-20 -87.24 119.93 28.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.735 -174.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 645' ' ' ASN . 1.5 mt-30 72.98 -72.74 0.11 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.639 176.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.35 160.71 28.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.564 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.412 ' O ' ' HD1' ' A' ' 650' ' ' PHE . 0.1 OUTLIER -73.46 176.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.556 -179.31 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 70.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.199 0.524 . . . . 0.0 111.259 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . 0.412 ' HD1' ' O ' ' A' ' 648' ' ' VAL . 28.7 p90 -84.28 -6.53 59.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.622 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -37.49 16.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -67.2 -34.95 78.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.2 100.17 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.995 0.426 . . . . 0.0 111.037 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . 0.408 ' H ' ' HG3' ' A' ' 654' ' ' GLN . 0.0 OUTLIER -81.69 70.77 8.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.805 177.149 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . 0.583 ' HB3' HG12 ' A' ' 657' ' ' ILE . 1.8 m95 -82.18 103.37 11.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.08 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.06 57.51 2.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.912 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.583 HG12 ' HB3' ' A' ' 655' ' ' TRP . 1.2 pt -102.99 -167.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.516 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 1.6 m-20 -66.87 110.26 4.73 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 1.2 Cg_endo -83.39 54.68 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.336 2.69 . . . . 0.0 112.65 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 83.07 26.52 44.25 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.971 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.23 -9.34 52.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.226 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.63 -26.05 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.438 175.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER 65.58 15.46 10.05 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.182 174.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -35.04 79.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 0.0 111.495 -177.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -11.12 59.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.079 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -101.1 3.13 41.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.88 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.49 129.14 36.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 111.218 -176.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.436 ' HG3' ' H ' ' A' ' 668' ' ' MET . 0.8 OUTLIER -102.31 141.35 35.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.594 178.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -99.45 113.66 26.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 1.8 t -84.56 95.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.079 0.466 . . . . 0.0 111.052 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -91.68 130.31 37.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.324 177.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.59 121.38 65.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.086 -175.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 37' ' ' TYR . 2.9 mp -115.44 140.38 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.763 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -76.36 155.22 34.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.94 123.34 22.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.697 0.284 . . . . 0.0 111.271 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -53.91 41.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 175.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.7 101.25 13.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 0.0 109.932 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 150.71 -71.14 0.3 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.363 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.49 -32.65 42.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.855 0.36 . . . . 0.0 110.475 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.26 53.26 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.504 . . . . 0.0 110.267 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -10.17 59.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.569 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -51.53 66.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.047 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -2.12 36.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.965 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -136.63 73.4 0.44 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.528 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 143.03 -52.0 0.65 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.061 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 97.91 -65.13 0.84 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.815 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 178.27 -139.32 4.08 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.095 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 15.8 m -102.8 178.06 4.67 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 137.86 16.43 0.68 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.202 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 140.95 154.9 6.32 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -83.91 79.09 9.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.067 0.461 . . . . 0.0 110.064 178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -90.7 -13.42 34.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 86.17 172.64 48.81 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.29 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.95 178.91 6.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.665 0.269 . . . . 0.0 110.722 178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.51 26.81 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -124.81 90.1 0.4 Allowed Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -0.29 12.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.415 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 20.1 m -90.36 -17.26 27.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.467 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.3 m-90 49.92 -110.04 0.41 Allowed 'General case' 0 N--CA 1.461 0.093 0 O-C-N 123.787 0.679 . . . . 0.0 110.427 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 1.4 mmtt -134.44 152.3 51.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.02 145.41 26.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 110.359 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.572 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 23.3 m -59.1 155.28 14.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.777 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.72 -17.02 9.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.024 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.1 -60.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.777 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.04 -66.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.004 0.402 . . . . 0.0 110.642 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' ' CB ' ' A' ' 23' ' ' CYS . . . 123.95 34.58 0.72 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.572 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -140.32 -131.23 2.73 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.045 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' A' ' 19' ' ' SER . 10.9 mtmm -112.92 134.29 54.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.767 0.318 . . . . 0.0 110.187 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 44' ' ' HIS . 45.8 mt -74.49 109.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.199 0.523 . . . . 0.0 110.272 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.35 21.08 18.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.85 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 7.0 m-20 -85.4 -178.36 6.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.442 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.46 -46.45 6.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.831 0.348 . . . . 0.0 110.358 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -101.59 135.82 42.47 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.247 0.546 . . . . 0.0 111.726 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -93.8 140.8 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.484 177.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -115.37 134.72 54.84 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.008 0.432 . . . . 0.0 111.572 -173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 1.3 m-85 -99.92 117.15 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -103.92 -32.21 9.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.787 0.327 . . . . 0.0 111.423 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.0 ptp -163.29 -34.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.279 -173.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -29.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.18 165.62 15.58 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 -175.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' HB3' HD23 ' A' ' 35' ' ' LEU . 16.2 m-85 -94.85 117.4 30.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.2 m95 -120.52 176.55 5.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.092 0.473 . . . . 0.0 110.431 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.784 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -133.79 -173.97 3.39 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 167.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.174 0.443 . . . . 0.0 111.282 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -30.52 29.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.114 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.784 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -79.17 -53.78 6.64 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.894 0.378 . . . . 0.0 110.306 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -76.06 85.88 2.95 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.808 -176.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.3 164.96 27.93 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.61 177.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.87 135.28 52.25 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.098 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -78.03 -8.96 58.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.647 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.59 -52.5 3.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.95 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.35 -10.08 17.21 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.415 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.25 27.37 16.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.186 176.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.27 155.64 34.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 173.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -73.66 67.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.681 0.753 . . . . 0.0 109.878 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 64' ' ' SER . 4.3 tp -66.73 -23.05 66.05 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.191 -170.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' HA3' ' HB3' ' A' ' 48' ' ' LEU . . . -78.56 -21.21 69.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.668 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.33 13.11 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.333 0.587 . . . . 0.0 110.635 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.98 141.37 46.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.787 177.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.26 64.3 2.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.114 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.74 153.5 17.84 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.473 0.309 . . . . 0.0 110.931 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -82.82 66.84 8.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.043 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.39 151.01 44.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.651 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 663' ' ' LEU . 53.5 m-85 -123.34 149.47 44.86 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.15 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.28 138.24 52.5 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.263 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.56 133.33 10.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.637 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m 57.17 36.58 27.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.395 0.617 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.4 19.04 74.05 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.792 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.4 mtm -111.38 150.93 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.822 0.311 . . . . 0.0 110.448 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.4 113.3 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 7.2 mp -124.36 149.46 46.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.692 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 20.4 p -72.39 166.49 22.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.029 176.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -49.93 -54.34 20.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.488 -170.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -78.25 -25.77 46.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.583 -175.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.692 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 2.3 m-20 -77.66 -26.19 50.18 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.521 -175.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HE2' HD11 ' A' ' 663' ' ' LEU . 15.3 t80 -59.59 -46.35 89.2 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.314 -0.555 . . . . 0.0 109.52 175.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 78' ' ' ILE . 0.8 OUTLIER -68.17 -27.19 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.458 178.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -64.88 -44.15 90.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.325 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.566 HD22 HD21 ' A' ' 72' ' ' LEU . 3.0 mp -84.15 -58.38 2.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.065 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 99.0 m-85 -106.39 -98.1 0.35 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -175.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.993 -1.448 . . . . 0.0 110.792 -175.816 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 121.114 0.483 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.53 128.7 25.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.005 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.83 145.58 25.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.065 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.49 59.63 2.18 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.868 0.73 . . . . 0.0 111.233 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -75.04 86.83 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.459 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . 0.541 HE21 ' HB3' ' A' ' 646' ' ' GLN . 0.0 OUTLIER -86.0 117.13 24.65 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.285 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -93.49 159.14 15.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.839 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.43 122.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.234 0.54 . . . . 0.0 110.523 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . 0.445 ' HB2' ' HB2' ' A' ' 652' ' ' ASN . 0.3 OUTLIER -76.76 89.24 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.542 179.545 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -20.99 66.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.37 -177.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 654' ' ' GLN . 29.0 mp0 -76.25 -16.33 59.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . 0.445 ' HB2' ' HB2' ' A' ' 649' ' ' SER . 1.7 t30 -68.79 -28.93 67.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.183 0.516 . . . . 0.0 110.606 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 653' ' ' ILE . 1.1 pp -107.87 16.63 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.633 0.73 . . . . 0.0 110.229 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' A' ' 651' ' ' GLU . 1.7 mt-30 -124.47 33.13 5.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.312 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -74.74 140.53 44.15 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.747 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.67 122.95 19.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -4.94 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 22.3 t70 -80.02 117.33 66.94 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 3.2 Cg_exo -76.58 -5.7 16.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.014 2.476 . . . . 0.0 112.102 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -78.7 -49.57 6.5 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.039 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -76.93 -8.42 57.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.19 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -93.24 85.73 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.061 0.457 . . . . 0.0 110.495 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.476 ' H ' ' HG ' ' A' ' 663' ' ' LEU . 0.0 OUTLIER -100.4 24.09 9.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.547 179.032 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -32.35 73.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.151 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -86.3 -10.36 54.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.156 0.503 . . . . 0.0 110.063 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 663' ' ' LEU . 15.3 m-85 -90.89 -5.66 55.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.564 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 147.65 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.408 ' HE3' HG23 ' A' ' 71' ' ' ILE . 24.0 ptp -100.4 150.34 22.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.15 107.56 19.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.433 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 10.3 t -84.9 94.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.521 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 2.9 m -96.63 125.16 40.9 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.567 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 7.5 p -89.84 130.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.0 0.428 . . . . 0.0 110.099 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -91.42 131.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.606 -176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -93.76 129.38 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.231 -176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 1.9 t -121.09 125.24 46.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 9.2 38.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.808 0.814 . . . . 0.0 110.254 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.52 129.07 46.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.127 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.17 -16.85 60.15 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.891 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -13.49 29.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.89 0.376 . . . . 0.0 111.213 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.519 ' HG3' HD13 ' A' ' 683' ' ' LEU . 0.0 OUTLIER -133.49 28.18 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.014 -176.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -26.89 66.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.639 -176.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -82.75 -18.04 42.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.416 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.519 HD13 ' HG3' ' A' ' 680' ' ' GLN . 1.2 mp -89.31 -44.55 10.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.135 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 111.11 122.16 4.24 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.33 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -83.2 61.29 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.959 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -101.26 135.0 11.93 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.446 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 91.69 -21.68 34.76 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.547 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 74.03 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.016 0.436 . . . . 0.0 111.361 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -70.6 -26.86 73.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.516 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -94.3 17.75 58.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.171 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.51 131.09 54.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.859 0.362 . . . . 0.0 110.443 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.77 149.69 23.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.053 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -103.73 -163.97 25.14 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.807 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.11 95.5 1.65 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -77.86 72.64 2.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.464 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 120.77 -167.99 13.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.13 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -112.37 3.02 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.866 0.365 . . . . 0.0 110.521 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -34.92 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.541 -178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 29' ' ' LYS . 2.0 m0 58.88 -103.45 0.17 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.345 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -135.74 132.76 37.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.001 177.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 61.9 mtm-85 -96.93 129.75 44.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.387 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -84.04 157.35 21.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.211 0.529 . . . . 0.0 111.932 -176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.93 -12.21 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.698 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.75 ' HA3' ' SG ' ' A' ' 47' ' ' CYS . . . -88.28 -92.29 1.06 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.98 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.25 -46.78 35.99 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 111.033 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.08 52.33 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 22' ' ' ARG . . . -107.83 -155.65 18.97 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.743 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CE3' ' A' ' 20' ' ' TRP . 13.3 mtpt -92.22 124.61 36.42 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 21' ' ' LYS . 61.6 mt -69.15 107.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.372 0.605 . . . . 0.0 109.491 177.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.91 20.19 15.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.268 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.48 8.22 19.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.428 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 73.15 -65.54 0.35 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.903 0.881 . . . . 0.0 111.328 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -100.26 124.61 45.92 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.83 0.347 . . . . 0.0 110.365 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.5 153.35 19.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.407 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.81 165.62 13.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -114.41 149.82 35.6 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.294 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -140.3 -87.89 0.19 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.143 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -79.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 110.045 178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -148.16 9.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.404 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 170.58 8.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.503 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -97.66 136.14 38.45 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -130.31 -179.37 5.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.653 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.6 p80 -150.44 -171.46 3.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.467 ' O ' ' HE2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -59.76 -35.13 73.99 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -175.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.481 ' O ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -82.45 -19.95 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.75 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -100.75 -45.64 5.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.94 72.85 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.54 0.686 . . . . 0.0 111.354 -173.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 56' ' ' GLN . 14.4 mttt -136.23 158.69 43.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.576 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 36.1 t -58.81 134.82 57.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.797 175.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -2.69 42.94 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.143 0.497 . . . . 0.0 110.435 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.574 ' HB2' ' OD2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -103.95 -50.7 3.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.6 -178.087 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p -115.15 -4.85 12.43 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.577 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 60.6 40.43 16.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.574 178.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 139.74 32.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.869 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -69.23 118.82 12.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.955 0.407 . . . . 0.0 111.023 -179.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 64' ' ' SER . 5.0 mt -106.04 -7.51 18.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.024 -178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.46 -33.71 5.28 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.804 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.517 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -99.48 0.35 42.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.498 0.666 . . . . 0.0 111.097 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -139.6 141.39 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.734 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.76 65.53 1.13 Allowed Glycine 0 C--N 1.321 -0.254 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.571 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.661 ' HB ' HD23 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -98.56 131.52 44.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 178.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.481 ' HB2' ' HG3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -66.0 111.39 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.657 -178.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -113.36 133.98 54.87 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -128.99 172.06 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.386 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t -143.15 179.63 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 68' ' ' SER . 14.2 tttp -171.59 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.275 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -82.84 46.01 1.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.24 179.647 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.44 5.08 62.42 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.267 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 32.0 ttm -95.46 146.59 24.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.674 0.273 . . . . 0.0 110.767 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' HE3' ' A' ' 668' ' ' MET . 2.9 mp -97.94 110.93 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -125.99 149.7 48.61 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.91 -176.13 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -82.03 179.55 7.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 63' ' ' SER . 0.0 OUTLIER -57.83 -53.1 61.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.37 -177.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.08 -36.92 75.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.631 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 4.1 m-20 -77.12 -36.91 55.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.739 -173.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' HD13 ' A' ' 72' ' ' LEU . 4.0 t80 -55.88 -51.87 66.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.063 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.65 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 1.6 mt -71.85 -26.03 25.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.925 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -71.57 -41.12 69.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.68 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -60.02 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.22 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.29 -55.32 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.864 0.364 . . . . 0.0 111.212 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -173.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.831 0.348 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 37.3 mt -136.29 89.51 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.147 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 65.53 40.64 4.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.051 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.463 ' HB3' ' H ' ' A' ' 645' ' ' ASN . 2.0 t-20 -110.31 -91.9 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.186 -176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . 0.463 ' H ' ' HB3' ' A' ' 644' ' ' ASN . 12.1 t-20 -134.72 -65.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.67 0.272 . . . . 0.0 110.616 -177.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.1 55.11 3.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.297 0.57 . . . . 0.0 110.547 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.83 56.12 1.96 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.2 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -75.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.423 -175.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.99 129.79 45.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.992 0.425 . . . . 0.0 111.02 -176.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -100.7 93.44 5.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.117 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.466 ' H ' ' HG3' ' A' ' 651' ' ' GLU . 0.0 OUTLIER -64.09 -20.91 66.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.698 -177.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -28.71 69.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.926 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -107.75 44.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.615 0.722 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -96.17 75.41 3.0 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.07 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.09 147.41 53.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.109 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 2.8 m -114.81 48.71 1.11 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.391 0.615 . . . . 0.0 110.68 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.472 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.7 OUTLIER -121.35 -170.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.412 -179.488 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' A' ' 659' ' ' PRO . 31.4 t0 -73.54 116.26 49.69 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.251 178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 658' ' ' ASP . 23.0 Cg_endo -62.11 -22.72 74.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.565 2.176 . . . . 0.0 112.072 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -105.93 29.24 11.57 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.069 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.83 -52.4 44.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.779 0.323 . . . . 0.0 110.706 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . 0.589 ' C ' ' HG ' ' A' ' 663' ' ' LEU . 6.0 t0 -83.87 163.79 19.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.589 ' HG ' ' C ' ' A' ' 662' ' ' ASP . 0.0 OUTLIER 48.22 33.83 4.0 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.413 0.685 . . . . 0.0 111.594 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -39.65 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.616 -174.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -87.39 -9.51 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.507 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -87.03 -11.89 49.02 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -83.35 122.15 28.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.421 . . . . 0.0 110.646 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.57 ' SD ' ' HA ' ' A' ' 39' ' ' MET . 1.5 mtt -85.71 90.69 8.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . 0.498 ' HA ' ' HB3' ' A' ' 63' ' ' SER . 0.3 OUTLIER -62.24 123.31 17.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.408 -176.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.889 HG11 HD23 ' A' ' 36' ' ' LEU . 98.3 t -82.78 115.52 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.991 -169.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -88.29 128.19 35.48 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.697 173.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 34' ' ' PHE . 7.6 p -99.6 131.44 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.161 0.505 . . . . 0.0 110.428 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 35' ' ' LEU . 3.5 mp -89.78 122.55 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.674 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.73 111.43 6.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.765 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.16 94.99 9.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.809 173.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -35.17 79.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.108 -176.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -72.86 75.66 1.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.298 0.571 . . . . 0.0 110.505 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 164.46 -55.73 0.27 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.7 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 -41.93 25.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.662 0.268 . . . . 0.0 110.709 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.52 105.47 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.81 25.71 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -174.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -23.91 32.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 110.853 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.15 155.44 48.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.753 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 176.41 -171.66 44.64 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.948 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -146.66 121.74 1.49 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -119.7 -131.45 4.2 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.182 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 73.54 -159.52 53.2 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.55 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.56 82.15 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.43 . . . . 0.0 110.578 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 99.41 76.63 1.26 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -82.68 -25.43 50.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.555 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -118.14 137.25 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.819 0.343 . . . . 0.0 110.617 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.94 -38.57 25.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.351 0.596 . . . . 0.0 109.711 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 148.98 131.15 1.96 Allowed Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.519 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.17 115.18 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.896 0.348 . . . . 0.0 110.593 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -76.24 69.87 2.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.203 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 143.23 87.62 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.94 13.79 13.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.851 0.358 . . . . 0.0 111.041 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.74 -34.33 13.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.57 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.442 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER 51.45 -119.91 1.53 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.875 -177.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -109.98 137.75 47.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.198 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.23 137.98 40.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -177.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 130.57 44.5 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 -50.01 5.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -168.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -59.03 -58.47 14.4 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.795 -173.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -71.57 -48.32 49.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.007 0.432 . . . . 0.0 110.014 175.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.76 29.76 3.01 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.852 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.59 -126.56 3.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.699 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 141.16 36.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.75 HG23 ' HB3' ' A' ' 44' ' ' HIS . 7.2 mt -73.35 108.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.255 0.55 . . . . 0.0 111.412 -174.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.3 19.43 14.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.523 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.2 -84.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.859 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -176.26 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' HD2' HG22 ' A' ' 672' ' ' VAL . 3.0 m-85 -98.38 132.44 43.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.073 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.55 144.95 28.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.424 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 HG11 ' A' ' 670' ' ' VAL . 5.8 mp -109.83 150.5 28.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.417 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.0 OUTLIER -111.51 115.38 29.1 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.587 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -113.35 -100.01 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.649 0.261 . . . . 0.0 110.639 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.57 ' HA ' ' SD ' ' A' ' 668' ' ' MET . 1.7 ttm -58.44 -63.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.895 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 41' ' ' SER . 1.5 p-10 -171.82 -4.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.614 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.429 ' H ' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -101.82 171.4 7.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.206 -177.393 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.31 132.49 41.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.108 177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 5.2 m95 -125.91 153.99 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.44 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.784 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -109.4 -176.21 2.96 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 171.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.615 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 1.1 m -48.35 -46.31 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.667 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -93.13 -1.12 56.72 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.784 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -85.93 -52.14 5.92 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.847 -0.533 . . . . 0.0 110.257 178.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -73.44 89.21 1.63 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.201 178.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -134.31 144.54 48.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.692 177.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.84 133.46 56.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.793 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -76.78 -1.5 28.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.224 -175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -51.68 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 p -112.23 3.47 17.17 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.275 -177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.37 25.41 15.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.626 177.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -61.59 120.32 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.128 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -76.52 87.11 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -75.25 -13.11 60.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.685 -178.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.513 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . -62.12 -55.97 24.92 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 113.029 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 3.0 p-10 -84.76 14.02 5.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.281 -0.541 . . . . 0.0 111.446 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.63 -45.83 4.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 110.329 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.05 26.23 Favored Glycine 0 C--N 1.317 -0.518 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.212 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.53 123.88 26.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.861 ' HA ' HG23 ' A' ' 670' ' ' VAL . 22.9 m -68.96 109.23 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.022 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 160.95 28.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.888 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.642 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 42.9 m-85 -104.06 159.44 15.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -152.98 173.63 15.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.063 0.459 . . . . 0.0 111.585 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.83 -77.52 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.086 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.6 43.18 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.082 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.38 -4.99 57.53 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.334 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.4 mtm -84.41 128.49 34.61 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.633 -0.334 . . . . 0.0 110.717 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.498 ' H ' HG13 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -97.3 111.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.876 0.37 . . . . 0.0 110.035 179.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.554 HD12 ' HD1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -127.27 158.42 37.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 -177.077 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.4 p -73.11 175.78 6.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.216 0.532 . . . . 0.0 111.281 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.642 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -62.04 -31.71 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.539 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -83.15 -41.59 18.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.648 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.691 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -77.06 -38.24 52.99 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.635 -171.1 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' HD1' HD12 ' A' ' 72' ' ' LEU . 54.2 t80 -57.29 -42.94 82.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.303 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.96 -28.63 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.19 0.519 . . . . 0.0 110.343 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -75.56 -36.77 60.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -81.07 -60.24 2.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.457 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -107.26 -101.69 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.683 -175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.695 -1.058 . . . . 0.0 111.69 -179.277 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.176 0.512 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 57.93 1.79 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -58.83 150.94 22.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.994 -175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -76.4 94.51 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.53 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -110.34 -12.57 14.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.268 0.556 . . . . 0.0 109.715 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -126.73 120.69 30.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -68.57 144.41 54.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.7 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 4.9 m -113.71 171.73 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.989 0.423 . . . . 0.0 111.318 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 40.0 t -151.49 149.36 29.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -67.6 -21.99 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.433 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.61 -23.73 65.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.593 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -87.53 -51.43 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.243 0.545 . . . . 0.0 109.978 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.49 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.2 OUTLIER -104.15 77.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.479 178.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -74.31 87.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.13 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -98.12 44.28 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.733 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.58 58.32 4.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.519 -176.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.435 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.6 OUTLIER -129.72 165.0 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.48 148.07 72.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.11 46.59 2.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.032 2.488 . . . . 0.0 112.967 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 78.03 54.46 4.46 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.425 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.09 69.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.955 0.407 . . . . 0.0 111.186 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -69.23 -24.95 64.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.178 0.513 . . . . 0.0 110.952 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 77' ' ' TYR . 54.7 mt -78.82 -4.51 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 667' ' ' LYS . 42.1 m -70.36 -12.54 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 111.006 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.05 -23.16 55.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.048 0.451 . . . . 0.0 110.22 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' THR . 26.0 m-85 -102.35 10.64 38.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.223 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.473 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 12.0 mttt -86.39 151.26 23.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.157 -172.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.416 ' CE ' ' HG3' ' A' ' 39' ' ' MET . 0.0 OUTLIER -136.79 118.75 15.28 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.702 171.716 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.2 148.31 24.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.791 0.329 . . . . 0.0 110.306 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 88.9 t -83.83 108.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.593 -172.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 127.56 35.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 172.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.79 139.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 35' ' ' LEU . 3.2 mp -112.51 132.93 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.125 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 5.9 t70 -84.17 86.38 7.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.95 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.36 69.41 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 177.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -9.82 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.235 0.541 . . . . 0.0 110.776 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.47 94.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.52 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 143.77 -31.71 1.87 Allowed Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.352 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 5.6 m -79.9 -23.59 41.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 110.5 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 683' ' ' LEU . 0.8 OUTLIER -97.4 112.46 24.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.246 179.145 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -31.62 59.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -83.39 -26.28 30.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 680' ' ' GLN . 0.1 OUTLIER -135.58 76.27 1.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.915 -177.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.11 139.93 7.4 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.346 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 93.8 158.21 33.63 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.3 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -151.46 79.85 0.2 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.476 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 95.6 -6.3 67.67 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.225 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -10.0 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.904 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 73.21 -118.81 6.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.972 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -104.99 11.91 49.04 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.797 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 151.95 18.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.568 0.223 . . . . 0.0 110.667 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.18 58.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.437 0.637 . . . . 0.0 110.537 176.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -102.02 70.01 0.36 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.678 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.26 68.39 3.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.517 0.675 . . . . 0.0 109.597 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . 100.69 -24.71 31.03 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -173.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 158.03 167.6 19.17 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -9.61 58.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.076 0.465 . . . . 0.0 110.483 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.0 -6.36 57.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.649 175.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 2.7 m0 54.8 -127.24 2.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.808 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -114.89 125.45 53.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 142.68 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.314 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.72 144.64 34.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.84 -52.91 4.51 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -64.13 -64.26 3.77 Favored Glycine 0 CA--C 1.516 0.108 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.784 -173.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -45.9 92.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.9 1.9 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.293 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.32 -113.53 1.22 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.71 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.24 144.82 26.77 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 35' ' ' LEU . 3.3 mt -63.93 108.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.52 0.676 . . . . 0.0 110.744 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -118.88 18.98 13.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.386 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 4.3 m-20 -75.97 -71.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 10.5 ttt85 177.92 -65.38 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.648 169.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.3 m-30 -96.09 137.47 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.765 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -98.08 146.06 25.92 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.264 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD13 ' HA2' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -120.66 170.47 9.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -178.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.3 OUTLIER -120.93 149.44 42.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 -177.395 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -140.59 -89.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.668 175.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.416 ' HG3' ' CE ' ' A' ' 668' ' ' MET . 0.0 OUTLIER -74.85 -80.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.36 3.34 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.624 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.32 169.59 9.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -96.93 126.97 42.45 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.538 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 16.0 m95 -121.65 179.18 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.034 0.445 . . . . 0.0 111.073 -176.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.3 p80 -151.5 -175.55 5.24 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.38 67.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -4.11 54.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -99.75 -58.74 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.796 -179.349 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD11 ' HB2' ' A' ' 38' ' ' ALA . 3.7 mt -73.1 86.38 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 110.766 -177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -143.1 142.91 31.64 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.465 175.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 26.9 t -54.05 132.32 42.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.596 0.56 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.29 -14.88 61.87 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.244 -177.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.07 -52.09 3.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.43 -1.92 16.84 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.992 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 59.74 37.99 21.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.6 178.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 49' ' ' LYS . . . -67.83 124.17 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.97 79.84 7.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.256 0.551 . . . . 0.0 111.439 -172.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -9.7 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.777 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . -71.09 -25.99 74.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.536 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.5 -35.46 9.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 122.079 0.942 . . . . 0.0 109.926 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.05 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.14 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.413 ' HA2' HG21 ' A' ' 670' ' ' VAL . . . -73.71 66.28 1.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.815 -171.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.39 148.47 24.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.11 110.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.096 0.474 . . . . 0.0 111.275 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 -177.92 5.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.885 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' ' HG3' ' A' ' 667' ' ' LYS . 90.5 m-85 -127.71 147.59 50.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.076 0.465 . . . . 0.0 111.541 -176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.505 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 1.2 t -135.69 173.6 11.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.22 176.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -163.27 -56.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.607 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -119.96 50.1 1.32 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.25 29.17 66.8 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.633 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.08 129.42 43.57 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -98.28 111.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.866 0.365 . . . . 0.0 110.49 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 71' ' ' ILE . 1.3 mm? -121.51 163.51 18.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 -178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -75.62 -178.08 3.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -62.56 -39.04 92.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.846 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.467 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -79.47 -46.32 17.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.23 -176.632 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.585 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 1.5 m-20 -72.64 -23.14 60.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.866 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 663' ' ' LEU . 21.5 t80 -62.09 -43.14 99.47 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.203 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.463 ' H ' HG13 ' A' ' 78' ' ' ILE . 1.3 mt -71.33 -32.35 46.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.499 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ttt-85 -71.61 -36.69 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.671 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -80.94 -53.94 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -125.74 -76.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.105 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.526 -1.152 . . . . 0.0 111.411 -174.668 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.56 0.219 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.74 -6.53 8.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.709 0.29 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.63 20.47 10.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.109 0.481 . . . . 0.0 110.295 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -128.04 82.41 2.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -159.64 113.28 2.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.955 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -101.12 54.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -100.53 163.35 12.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.338 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.56 53.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.211 0.529 . . . . 0.0 110.003 177.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.76 63.17 1.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.256 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -144.85 78.81 1.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.408 0.623 . . . . 0.0 110.525 178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -9.52 56.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.873 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -73.37 -27.45 61.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.448 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 653' ' ' ILE . 0.5 OUTLIER -98.52 72.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.447 0.642 . . . . 0.0 111.281 -177.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -97.79 53.53 1.11 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.75 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -84.71 -153.33 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.623 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 1.6 m -77.77 66.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.014 0.435 . . . . 0.0 111.137 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.27 -165.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 23.6 t70 -77.55 124.56 86.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.8 Cg_exo -68.0 -6.21 16.52 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.25 2.634 . . . . 0.0 113.012 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -99.14 -26.67 8.68 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.6 81.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.057 0.456 . . . . 0.0 110.179 176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -140.46 138.34 34.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.763 173.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.406 HD22 ' HE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -102.36 40.08 1.41 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.734 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -59.43 -33.68 71.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.67 -177.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.48 -8.79 57.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.53 -178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -95.04 -23.54 17.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.629 -176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.689 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -77.71 123.13 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 0.0 110.289 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 64' ' ' SER . 0.2 OUTLIER -80.74 144.6 32.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.681 -177.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.0 105.31 12.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.402 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 4.2 t -85.32 95.16 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.842 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -90.41 110.33 21.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.788 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.6 t -80.62 122.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 35' ' ' LEU . 2.8 mp -90.37 129.65 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -176.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -81.28 110.41 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.126 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.65 62.7 2.0 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.134 0.492 . . . . 0.0 112.262 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.76 -40.65 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.201 175.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -75.95 121.14 22.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.618 0.723 . . . . 0.0 110.056 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 117.52 -32.3 5.43 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.374 -174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.6 -47.16 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.992 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -116.63 36.91 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.205 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 3.5 m -81.3 68.82 7.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.109 0.48 . . . . 0.0 110.996 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -5.69 26.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.194 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.482 ' H ' ' HG ' ' A' ' 683' ' ' LEU . 0.0 OUTLIER -81.56 103.1 11.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.824 -177.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -76.73 -36.35 37.53 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.65 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 62.33 -125.27 35.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.377 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -93.62 42.53 2.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 173.52 -151.72 14.05 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.144 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -26.67 9.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.833 0.349 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 155.94 155.15 7.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.092 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -85.03 62.82 4.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.296 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -129.09 107.02 9.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -27.18 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 0.0 110.146 176.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -176.08 -53.02 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.46 90.85 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.013 0.435 . . . . 0.0 110.433 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -108.04 150.23 16.91 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.661 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 98.85 -53.08 1.1 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.69 86.64 4.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 175.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' TRP . 0.9 OUTLIER -83.05 -35.46 25.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.777 -178.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 19' ' ' SER . 24.7 m95 75.31 135.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.774 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HG2' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -115.56 134.75 54.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.971 . . . . 0.0 108.674 170.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 127.79 35.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.776 -171.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.677 ' SG ' HG13 ' A' ' 30' ' ' ILE . 49.2 m -73.13 154.96 40.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.177 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -131.49 -6.84 3.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.139 174.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.05 -42.18 0.86 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.307 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 27' ' ' GLY . 2.6 p -102.85 -99.66 0.29 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 117.258 0.529 . . . . 0.0 111.878 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.601 ' N ' ' SG ' ' A' ' 26' ' ' CYS . . . -92.79 -73.61 1.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.472 -174.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.557 ' CA ' ' HB2' ' A' ' 23' ' ' CYS . . . 171.98 -29.52 0.11 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.371 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -117.12 114.53 23.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.57 -0.37 . . . . 0.0 110.536 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.677 HG13 ' SG ' ' A' ' 23' ' ' CYS . 19.1 mt -71.38 108.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.185 0.517 . . . . 0.0 109.84 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.21 18.54 20.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.227 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.94 -179.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.417 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD3' ' HD1' ' A' ' 34' ' ' PHE . 1.7 tmt_? -89.76 -63.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.505 ' HD1' ' HD3' ' A' ' 33' ' ' ARG . 1.2 m-85 -100.57 130.8 46.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.889 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD13 ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -100.84 150.19 23.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.12 -179.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.06 155.77 36.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.941 0.401 . . . . 0.0 110.815 -177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.0 OUTLIER -106.79 149.36 27.44 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.555 -179.646 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.01 -96.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.359 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.55 55.62 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.27 -177.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.18 22.5 7.63 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.205 0.602 . . . . 0.0 112.206 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -132.13 171.15 14.01 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -97.23 130.62 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CG ' ' HG ' ' A' ' 48' ' ' LEU . 1.9 m95 -131.8 171.3 13.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.453 0.644 . . . . 0.0 111.376 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.751 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -140.32 -162.97 1.43 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 171.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 1.5 m -58.8 -47.76 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.966 0.348 . . . . 0.0 111.78 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -10.98 59.76 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.751 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.19 -52.05 3.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.759 0.314 . . . . 0.0 110.728 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.89 77.69 9.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.11 0.481 . . . . 0.0 110.28 179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 154.35 44.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.578 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 49.8 t -60.16 127.21 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.446 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.36 -6.09 56.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.105 0.479 . . . . 0.0 110.206 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.615 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -98.59 -51.65 3.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.9 -176.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.3 p -113.04 -3.65 13.98 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.287 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 64.97 41.96 4.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.333 178.567 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -86.81 123.04 31.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.777 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 45' ' ' SER . 15.2 mt-30 -65.34 94.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.075 0.464 . . . . 0.0 110.564 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' A' ' 64' ' ' SER . 19.2 mt -79.94 -21.13 44.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.684 -177.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.17 -1.17 56.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.909 -0.663 . . . . 0.0 113.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.93 3.65 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.856 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -148.36 137.79 15.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.037 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.27 48.82 2.87 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.593 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 151.17 21.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.692 0.282 . . . . 0.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.73 103.49 2.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.4 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.657 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -79.7 153.41 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 173.736 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' HE1' ' HG2' ' A' ' 74' ' ' ARG . 89.6 m-85 -115.39 158.94 21.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -175.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -150.15 171.12 17.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -167.71 -67.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.115 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.04 34.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.243 -178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.39 2.74 80.7 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.173 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 35.3 mtm -101.74 151.77 21.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -91.35 123.57 43.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.615 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 4.0 mp -130.86 143.53 50.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.813 0.339 . . . . 0.0 110.786 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.782 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.3 p -73.36 170.24 15.48 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.342 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.565 ' HG2' ' HE1' ' A' ' 65' ' ' TYR . 29.0 mtp-105 -58.71 -45.54 89.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -67.37 -43.04 82.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.782 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.62 -45.13 69.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.114 -172.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 663' ' ' LEU . 26.0 t80 -58.16 -45.17 87.9 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.407 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.3 mt -74.43 -31.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -73.92 -25.25 59.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.822 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -95.23 -62.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.293 -179.267 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -107.39 -87.9 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.852 0.358 . . . . 0.0 111.001 -174.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.816 0 CA-C-O 119.013 -0.882 . . . . 0.0 111.075 -175.169 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.712 0.291 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 642' ' ' LEU . 5.5 mt 59.16 32.34 22.01 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.943 -177.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.77 -4.78 25.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.167 177.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -116.19 160.59 20.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.424 173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.4 36.05 4.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.349 0.595 . . . . 0.0 110.925 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.44 -22.52 8.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.174 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -83.94 -8.51 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.15 94.13 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.531 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.51 153.98 42.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.27 30.52 15.73 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.509 0.506 . . . . 0.0 111.143 178.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 -80.92 -17.54 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.819 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -68.42 -41.99 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -104.2 97.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.136 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.62 53.41 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.117 -177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -98.58 131.37 44.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.562 . . . . 0.0 110.493 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.15 113.29 23.63 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.116 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -15.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.394 0.616 . . . . 0.0 110.614 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.51 137.51 94.78 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.062 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.63 57.99 6.59 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 123.097 2.531 . . . . 0.0 112.946 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 85.58 63.82 1.53 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.617 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -88.22 -18.41 28.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 109.939 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.03 -150.39 0.34 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.0 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.585 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.4 mp -113.93 57.33 0.69 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.986 0.422 . . . . 0.0 110.089 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.98 88.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.134 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -77.88 -24.51 48.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.73 0.3 . . . . 0.0 111.504 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.585 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 29.3 m-85 -92.3 -3.75 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.702 -177.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -65.54 123.29 19.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.109 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.16 85.46 3.47 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.22 113.77 6.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.271 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 17.0 t -84.43 115.74 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.491 -174.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.36 118.66 28.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 173.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -94.79 120.7 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.581 -178.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.28 128.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.281 -176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 34' ' ' PHE . 26.6 t70 -73.59 111.9 9.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.775 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.86 84.93 4.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.908 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -23.06 62.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 109.806 173.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 105.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.065 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 140.4 -44.05 1.08 Allowed Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.686 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.75 -40.98 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.37 . . . . 0.0 110.484 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -96.19 107.99 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.006 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -27.85 57.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -81.22 -24.04 37.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.324 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.76 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.268 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -124.42 -177.49 15.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.785 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -67.09 129.85 29.55 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.901 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -75.76 78.97 1.15 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.527 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -73.5 -28.6 65.29 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.031 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.01 -42.45 1.56 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.947 0.403 . . . . 0.0 110.72 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -156.88 -137.54 2.33 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.052 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . 164.78 172.92 32.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.766 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.9 144.43 26.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.25 82.04 3.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 83.97 -78.21 2.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.297 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.49 135.61 34.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -129.88 48.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.413 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 136.23 127.32 2.64 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.795 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.26 -9.41 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.38 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -36.1 15.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.434 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.487 ' CZ3' ' HE3' ' A' ' 29' ' ' LYS . 1.9 m0 57.41 -147.86 0.51 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.668 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.79 131.49 45.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.625 0.25 . . . . 0.0 110.457 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 1.7 tpt180 -69.9 128.92 38.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.291 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.32 153.85 20.14 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.922 0.392 . . . . 0.0 110.808 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.15 -61.56 1.69 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.33 -73.37 0.54 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.551 -0.357 . . . . 0.0 113.184 -172.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.01 64.1 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.9 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.84 39.84 4.25 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.036 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' O ' ' HD2' ' A' ' 22' ' ' ARG . . . -130.22 -113.3 1.59 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.999 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -145.86 142.28 28.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.904 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.2 mt -74.04 108.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.169 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 11.51 14.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.371 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 4.6 m-20 -66.54 -86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.195 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.83 -73.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 175.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 1.8 m-85 -92.01 146.7 23.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.96 136.13 40.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.997 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.48 135.01 51.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.639 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -99.07 113.38 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.743 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.608 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -108.78 -106.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 172.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.8 ptp -84.56 56.17 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.278 0.561 . . . . 0.0 110.484 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.28 -10.26 0.93 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.909 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' HG ' ' HZ2' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -84.89 169.25 14.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.204 -0.31 . . . . 0.0 110.304 178.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -98.38 119.19 36.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 6.5 m95 -121.24 156.18 33.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.301 0.572 . . . . 0.0 111.41 -177.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.904 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -123.5 -171.75 2.37 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 172.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.39 -34.99 78.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 118.368 0.531 . . . . 0.0 111.355 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 111.319 -179.168 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -100.76 -51.83 3.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.735 0.302 . . . . 0.0 111.085 -178.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -77.39 71.02 3.85 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.676 0.75 . . . . 0.0 111.219 -176.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.875 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.49 166.15 26.52 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.932 176.509 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 42.6 t -65.46 127.7 32.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -78.3 -2.33 37.5 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.228 0.537 . . . . 0.0 110.329 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.84 -30.78 9.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.813 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 93.8 m -103.49 -23.28 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 57.49 30.3 18.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.429 0.633 . . . . 0.0 110.163 -172.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.05 37.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.864 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -52.41 118.82 3.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.876 0.735 . . . . 0.0 111.431 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.875 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 1.1 mp -102.15 -21.24 14.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.01 -14.15 56.67 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.178 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -99.51 20.51 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.22 145.49 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.034 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -76.03 -13.19 83.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.626 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 122.84 19.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.284 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.12 128.08 34.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.105 -175.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.03 163.16 28.14 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.334 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.705 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 64.9 m-85 -127.1 161.32 28.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -175.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 t -152.83 171.11 18.78 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.573 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HD2' ' OH ' ' A' ' 77' ' ' TYR . 10.2 tttp -163.19 -70.63 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.3 51.37 1.09 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.294 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.74 28.01 72.77 Favored Glycine 0 CA--C 1.519 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.023 175.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 mtm -122.01 129.67 52.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.375 0.588 . . . . 0.0 111.287 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.8 107.99 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 172.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' ' HB3' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -126.89 161.01 29.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.865 -177.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 31.8 p -82.39 -177.45 6.67 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.873 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.705 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 2.0 tmm_? -65.11 -38.2 89.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.756 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.45 -40.85 20.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -66.05 -42.88 88.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.839 -173.705 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.467 ' OH ' ' HD2' ' A' ' 67' ' ' LYS . 46.1 t80 -62.68 -46.19 89.32 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.952 -177.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.21 -31.13 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.08 0.467 . . . . 0.0 110.344 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -46.88 29.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -69.77 -57.18 5.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.093 -175.315 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CE2' HD23 ' A' ' 80' ' ' LEU . 99.2 m-85 -114.14 -107.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 0.0 111.322 -176.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.435 0 CA-C-O 117.889 -1.506 . . . . 0.0 110.716 -174.486 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 121.081 0.467 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.15 108.71 12.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -90.55 99.28 12.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.278 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -88.67 72.23 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.79 107.04 12.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.029 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -95.75 -16.08 22.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.385 0.612 . . . . 0.0 109.842 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.58 161.22 14.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.571 175.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.26 126.76 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.198 0.523 . . . . 0.0 110.626 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.28 52.68 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.771 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . 0.451 ' HB3' HG13 ' A' ' 653' ' ' ILE . 2.4 m-30 -106.73 89.8 3.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.397 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.8 -23.05 64.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.531 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -37.25 82.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.048 0.451 . . . . 0.0 109.964 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' A' ' 650' ' ' PHE . 0.6 OUTLIER -118.53 58.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 0.0 109.897 175.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -68.59 -24.56 64.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.498 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.72 157.2 37.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.411 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 1.6 m -64.63 89.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.125 0.488 . . . . 0.0 111.186 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 657' ' ' ILE . 0.6 OUTLIER -72.36 -3.68 4.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.369 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 661' ' ' ALA . 0.4 OUTLIER -65.61 122.87 82.7 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.763 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.94 81.53 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.132 2.555 . . . . 0.0 113.29 -173.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 70.74 35.38 66.54 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.587 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 658' ' ' ASP . . . -86.86 -25.62 24.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.738 0.304 . . . . 0.0 110.687 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -126.16 104.72 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.109 0.481 . . . . 0.0 110.535 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.76 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 2.7 mp -125.3 15.86 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.476 177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.32 -27.4 68.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.403 -177.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -38.8 27.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.259 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.76 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.0 m-85 -73.33 -13.9 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.541 -177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.76 124.1 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.445 0.64 . . . . 0.0 112.41 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 4.3 ttp -109.75 111.56 23.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.796 174.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 146.36 26.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.53 110.86 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.875 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -89.17 117.9 28.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 175.008 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.54 132.53 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.632 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 35' ' ' LEU . 2.1 mp -98.12 118.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -81.07 88.06 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.646 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 95.98 1.24 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.838 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -94.48 -7.36 41.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.794 0.807 . . . . 0.0 109.404 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -92.11 106.52 18.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.894 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.62 1.55 68.27 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.399 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -16.86 44.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 111.217 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.609 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 32.2 mt-30 -101.69 114.48 28.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.452 -176.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -35.47 25.45 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.359 -178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 7.72 43.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.028 0.442 . . . . 0.0 110.873 -177.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 1.4 mp -125.43 105.21 8.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 97.98 170.56 32.45 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.063 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 89.64 -61.68 3.47 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.46 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -84.21 147.75 23.73 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.051 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 97.45 -8.47 64.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.194 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.73 -29.0 36.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.825 0.345 . . . . 0.0 111.177 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 161.48 -172.77 37.76 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.268 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -76.69 -20.27 76.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.692 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -91.22 80.57 5.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.727 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 2.9 ttp -94.43 100.99 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -146.19 160.52 28.18 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.836 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.89 125.59 27.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.614 0.245 . . . . 0.0 110.743 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -93.24 -25.38 19.35 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.698 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -118.9 89.31 0.46 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.043 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt -108.61 1.29 21.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -29.95 14.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' LYS . 1.6 m0 56.04 -111.34 0.61 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.273 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 3.9 tptt -139.92 143.3 36.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.202 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 136.96 37.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.626 ' HB2' ' H ' ' A' ' 28' ' ' GLY . 7.9 m -61.1 154.34 23.27 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.892 177.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.82 -27.21 8.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.366 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.53 -46.41 1.42 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.191 -0.528 . . . . 0.0 113.317 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HB2' ' H ' ' A' ' 27' ' ' GLY . 2.6 m -75.64 -90.58 0.03 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.211 0.505 . . . . 0.0 110.747 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.49 ' H ' ' HB2' ' A' ' 26' ' ' CYS . . . 150.96 64.36 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.642 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.626 ' H ' ' HB2' ' A' ' 23' ' ' CYS . . . -177.99 -132.85 1.77 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' HE3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -119.58 142.22 48.58 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.997 0.427 . . . . 0.0 110.153 174.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -67.73 109.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.28 28.8 4.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.059 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 44' ' ' HIS . 3.3 m-20 -95.91 -178.99 4.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.526 177.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -100.09 -53.26 3.19 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.75 123.42 44.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.683 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -100.55 150.95 22.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 178.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -115.65 144.24 44.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -93.84 146.92 23.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.803 172.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.46 -100.4 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.22 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ttm -86.4 55.84 3.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.016 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.59 -9.24 1.22 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.357 0.663 . . . . 0.0 112.706 172.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.96 170.16 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.661 0.267 . . . . 0.0 110.689 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -93.41 118.95 31.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -120.9 160.89 22.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.358 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.753 ' H ' ' HB2' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -122.88 -167.07 1.53 Allowed 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 168.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.569 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -62.51 -28.09 69.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.716 0.293 . . . . 0.0 111.502 -178.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -22.56 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.753 ' HB2' ' H ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -86.78 -52.87 5.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.155 0.503 . . . . 0.0 109.8 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -80.14 87.0 5.51 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.218 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.96 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -145.33 174.76 10.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.012 176.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.62 132.82 42.07 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.427 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.35 -3.84 48.1 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 -50.65 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.866 -175.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.62 -8.5 13.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.444 -0.502 . . . . 0.0 111.591 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 54' ' ' GLN . 2.0 mm100 66.07 26.23 10.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.635 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.52 150.65 48.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.362 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -65.23 105.99 1.23 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.258 0.551 . . . . 0.0 111.551 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.96 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 3.8 mp -102.54 -8.8 20.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.044 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -92.88 -57.86 1.37 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.529 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.41 -0.02 35.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.41 0.624 . . . . 0.0 111.247 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mm -126.52 136.15 61.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.184 -0.917 . . . . 0.0 108.982 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.76 3.42 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.671 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.88 115.68 17.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.81 114.5 5.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.61 167.37 12.6 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.897 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.781 ' HE2' ' HG2' ' A' ' 74' ' ' ARG . 78.1 m-85 -131.21 149.19 52.68 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.6 t -123.53 175.33 6.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.025 0.441 . . . . 0.0 110.837 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -166.83 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.208 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 31.95 5.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.756 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.16 27.27 70.46 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 136.95 49.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.89 113.99 26.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.639 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' HD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -134.88 153.37 52.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.962 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.1 p -76.21 173.32 11.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.186 0.517 . . . . 0.0 111.436 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.781 ' HG2' ' HE2' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -61.44 -34.52 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.926 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -82.58 -33.12 28.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.066 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.683 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -82.19 -37.94 25.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.922 -174.104 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HD1' HD13 ' A' ' 72' ' ' LEU . 60.3 t80 -55.06 -41.66 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt -67.9 -35.6 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 111.2 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -38.8 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.645 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -66.74 -58.34 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.2 -177.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -112.7 -67.05 1.03 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.907 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.168 -1.351 . . . . 0.0 110.98 -173.623 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 642' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 641' ' ' SER . 0.4 OUTLIER 70.64 -72.69 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.322 0.649 . . . . 0.0 111.682 178.495 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.75 96.82 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.263 0.554 . . . . 0.0 110.761 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.04 73.77 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.34 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.83 147.69 24.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.646 178.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -106.77 -57.91 2.0 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.707 0.289 . . . . 0.0 111.05 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.2 114.82 27.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.478 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.36 167.0 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.767 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.81 136.15 35.42 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.47 80.36 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 0.0 111.328 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -70.14 -15.56 62.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.917 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.62 -49.56 52.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.597 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.87 102.7 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.81 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -124.58 111.85 16.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.165 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -99.44 102.55 14.16 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.153 0.501 . . . . 0.0 110.443 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.92 55.89 3.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.951 -177.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.402 ' HB ' ' H ' ' A' ' 658' ' ' ASP . 0.5 OUTLIER -137.24 -158.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.385 178.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 661' ' ' ALA . 6.9 t70 -96.24 110.91 54.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.314 176.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.27 -13.89 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.531 2.154 . . . . 0.0 112.46 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -102.75 7.66 53.5 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.132 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -71.81 -16.5 62.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.205 0.526 . . . . 0.0 110.65 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -92.49 15.41 14.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.52 0.676 . . . . 0.0 110.175 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 13.4 mt -125.78 49.97 1.89 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.248 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.773 ' HA ' ' HE3' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -52.8 -53.89 41.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.619 -174.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.84 -10.07 59.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.634 -176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 663' ' ' LEU . 89.5 m-85 -92.78 -22.23 19.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.86 -173.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.773 ' HE3' ' HA ' ' A' ' 664' ' ' SER . 0.1 OUTLIER -86.26 128.77 34.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.165 0.507 . . . . 0.0 110.735 -179.048 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 17.2 ptp -95.19 140.28 30.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.021 175.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -84.1 117.13 23.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 13.4 t -84.48 94.59 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.971 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.83 103.19 15.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.31 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.21 124.18 39.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.29 -179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.587 HD13 HD12 ' A' ' 35' ' ' LEU . 2.5 mp -84.89 124.58 40.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 0.0 110.53 -176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.411 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 7.1 t70 -78.1 98.58 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.75 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.58 117.96 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.89 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -4.44 55.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.092 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.01 -176.24 3.89 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.693 0.758 . . . . 0.0 112.087 -169.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.04 -4.74 74.46 Favored Glycine 0 C--N 1.318 -0.431 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.277 -175.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.29 -3.0 41.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 -177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.71 52.34 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -45.9 92.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.292 -177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -83.52 -19.7 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.1 mp -83.72 -17.36 41.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 -178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 142.16 55.68 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.058 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -109.88 87.17 0.46 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.94 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . 164.0 177.84 37.08 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.922 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -157.62 -150.57 5.76 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.02 69.62 5.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 110.721 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 72.02 -120.09 7.75 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -86.48 -8.74 76.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.594 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -98.96 79.54 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 110.631 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 4.9 ttp -100.46 129.03 46.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.087 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -167.85 101.45 0.18 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.405 -0.902 . . . . 0.0 113.105 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.81 75.3 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.382 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -65.41 156.23 48.7 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.612 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 96.97 -36.91 3.64 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.632 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 143.7 30.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.954 0.407 . . . . 0.0 110.479 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.75 -22.41 14.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.988 176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 29' ' ' LYS . 1.1 m-90 62.32 -84.19 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.912 0.757 . . . . 0.0 111.056 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 2.9 mmtm -133.59 124.8 27.5 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.355 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.24 115.63 30.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.967 0.413 . . . . 0.0 110.996 -175.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 156.54 37.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.38 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.38 -7.55 59.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.87 -86.93 1.24 Allowed Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.932 -0.651 . . . . 0.0 113.004 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 10.6 p -70.18 -31.93 69.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.674 0.273 . . . . 0.0 110.77 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.55 2.68 90.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.659 171.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.91 -91.77 0.43 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.582 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -166.72 145.44 5.36 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.444 HG23 ' HB3' ' A' ' 44' ' ' HIS . 80.9 mt -74.16 108.82 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.437 0.637 . . . . 0.0 110.925 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -105.54 19.25 20.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.676 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -89.39 175.25 7.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.885 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.9 -54.36 4.0 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.6 m-85 -100.98 132.11 46.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.587 HD12 HD13 ' A' ' 673' ' ' ILE . 0.3 OUTLIER -100.4 147.94 25.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 173.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.616 HD13 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -126.99 156.33 41.76 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.965 0.412 . . . . 0.0 111.399 -172.232 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.7 OUTLIER -103.31 150.2 23.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.639 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' ' 668' ' ' MET . . . -132.43 -79.6 0.5 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.277 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -98.5 -67.19 0.86 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.348 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -149.47 -1.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.424 . . . . 0.0 110.86 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.55 166.56 10.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.578 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.96 124.8 50.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.495 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -119.91 174.8 6.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.404 0.621 . . . . 0.0 111.413 -173.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.632 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -127.84 -179.03 4.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.391 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -62.38 -24.09 67.18 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -11.33 36.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.632 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -100.57 -53.73 3.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.715 0.293 . . . . 0.0 111.144 -178.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -78.48 83.91 4.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.138 0.494 . . . . 0.0 110.735 -178.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 168.41 19.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.582 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 28.0 t -65.76 132.33 48.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.364 172.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -79.53 -6.31 56.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.036 0.446 . . . . 0.0 110.485 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -103.83 -51.72 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.974 -178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.6 p -112.21 -0.64 15.46 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.525 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 12.9 mm100 66.19 30.09 9.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.355 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.582 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -67.86 123.64 21.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 175.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.38 75.77 0.55 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.826 0.346 . . . . 0.0 111.064 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 64' ' ' SER . 11.4 mt -64.81 -21.14 66.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.9 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.616 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -80.81 -18.62 69.78 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.376 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -101.09 10.21 41.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.668 0.747 . . . . 0.0 110.637 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HB ' ' OG1' ' A' ' 62' ' ' THR . 3.3 mt -135.47 150.83 29.33 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.526 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.07 49.47 1.83 Allowed Glycine 0 C--N 1.317 -0.484 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.957 173.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' HB ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -93.61 132.86 37.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.846 0.355 . . . . 0.0 111.47 -175.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.89 85.62 3.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.038 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -70.54 141.81 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 666' ' ' TYR . 79.0 m-85 -114.08 160.2 19.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.685 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -152.1 157.08 41.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.1 0.476 . . . . 0.0 111.259 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -71.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.738 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.52 18.96 0.39 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.603 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.07 76.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.199 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 50.1 mtm -102.12 139.1 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.615 -0.344 . . . . 0.0 110.302 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.99 123.71 37.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.7 mp -134.61 148.95 50.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.492 0.187 . . . . 0.0 110.538 -176.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.608 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 25.9 p -72.81 168.8 18.1 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.99 0.424 . . . . 0.0 110.513 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -61.5 -36.41 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.786 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -41.08 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.745 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.608 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -70.75 -48.71 53.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.193 -175.11 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 26.5 t80 -58.99 -47.59 84.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.582 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.73 -40.57 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.748 0.309 . . . . 0.0 111.106 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -69.96 -42.83 72.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.021 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 mt -76.56 -62.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.823 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 34.7 m-85 -101.42 -71.17 0.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.968 0.413 . . . . 0.0 110.827 -173.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.907 0 CA-C-O 118.977 -0.902 . . . . 0.0 111.666 -173.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.962 0.41 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.6 54.22 0.78 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 110.752 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -78.0 70.88 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -93.62 5.64 50.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.376 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -124.76 171.4 10.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -88.67 162.88 16.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.816 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.43 107.24 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.5 111.11 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.444 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.229 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -83.64 153.74 24.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 654' ' ' GLN . 0.0 OUTLIER -86.28 -29.64 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.004 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -55.98 -50.41 70.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.601 172.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.434 ' O ' ' HD1' ' A' ' 655' ' ' TRP . 0.2 OUTLIER -104.94 74.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.294 174.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . 0.604 ' HG2' ' HA ' ' A' ' 651' ' ' GLU . 1.9 mm-40 -79.01 59.94 2.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.251 0.548 . . . . 0.0 110.479 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . 0.434 ' HD1' ' O ' ' A' ' 653' ' ' ILE . 5.5 p-90 -100.06 149.26 23.67 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.844 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.1 166.66 10.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 7.1 mm -76.76 106.94 7.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.008 0.432 . . . . 0.0 110.316 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 0.8 OUTLIER -68.24 130.04 92.6 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.502 177.238 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.4 Cg_exo -67.62 68.67 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.203 2.602 . . . . 0.0 113.106 -176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.13 91.53 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.018 175.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -76.12 -61.18 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.761 0.315 . . . . 0.0 110.738 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -103.04 -172.27 2.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.934 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.681 HD22 ' HE2' ' A' ' 77' ' ' TYR . 7.5 mt -103.77 24.79 10.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.378 0.609 . . . . 0.0 110.194 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.55 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -60.11 -27.08 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.839 -178.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -83.09 -19.11 37.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -90.74 -20.71 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.11 0.481 . . . . 0.0 110.138 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.55 ' HD3' ' HA ' ' A' ' 664' ' ' SER . 0.0 OUTLIER -78.5 141.17 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.23 178.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.584 ' SD ' ' HG3' ' A' ' 39' ' ' MET . 1.2 mtm -89.7 124.41 34.58 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.24 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 111.24 6.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.956 0.408 . . . . 0.0 109.928 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 5.0 t -83.53 107.54 15.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.426 -170.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 1.3 m -89.94 112.76 24.24 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.406 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.53 113.35 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.651 0.262 . . . . 0.0 110.392 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 35' ' ' LEU . 3.0 mp -84.81 125.62 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.397 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.509 ' OD2' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -92.03 117.8 30.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.735 0.779 . . . . 0.0 110.325 -178.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 69.2 10.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.79 -174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.509 ' HG2' ' OD2' ' A' ' 674' ' ' ASP . 0.0 OUTLIER -75.46 -19.47 59.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.574 178.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -85.62 -178.35 6.63 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.236 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 84.49 -53.55 4.84 Favored Glycine 0 C--N 1.314 -0.655 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -1.29 53.03 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.401 0.28 . . . . 0.0 111.566 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -88.89 37.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.099 0.476 . . . . 0.0 111.042 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -21.47 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.757 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -11.65 59.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 0.0 110.794 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 683' ' ' LEU . 0.0 OUTLIER -80.9 -54.11 5.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.297 178.244 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 88.87 -82.52 1.49 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.912 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 120.17 142.48 6.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.364 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -69.23 104.31 1.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.014 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 104.3 -1.72 43.45 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.777 -178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 1.4 m -103.47 69.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.241 0.543 . . . . 0.0 110.338 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -112.31 16.51 24.6 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.304 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -108.39 -134.56 7.28 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.595 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -125.04 134.57 52.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.726 0.298 . . . . 0.0 110.389 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.67 82.26 5.79 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -63.9 139.6 43.03 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.868 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.86 100.31 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -85.19 82.12 1.7 Allowed Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 106.32 108.2 3.28 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.42 13.88 2.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 111.447 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -29.88 14.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.158 175.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 40.97 -101.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.162 0.913 . . . . 0.0 110.999 -175.023 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 6.4 mmtm -108.48 95.16 5.47 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -72.4 134.1 45.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.902 177.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.733 ' HB3' HG13 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -89.89 154.18 20.06 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -175.006 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.54 -59.32 2.48 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -167.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -63.15 -65.04 3.32 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.193 -171.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -38.36 89.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.87 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.11 20.1 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.563 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.87 -146.73 9.13 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 1.4 mppt? -113.1 133.0 55.22 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.733 HG13 ' HB3' ' A' ' 23' ' ' CYS . 8.0 mt -68.16 105.79 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.3 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.05 11.97 27.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.588 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -176.72 6.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.004 176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.73 -63.73 1.27 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.683 0.278 . . . . 0.0 111.103 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 674' ' ' ASP . 2.7 m-85 -97.34 125.27 41.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.796 0.331 . . . . 0.0 111.308 -173.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.678 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -94.71 144.07 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.988 176.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -109.45 141.08 42.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.15 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.1 OUTLIER -103.79 102.56 12.39 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.729 173.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -101.68 -96.83 0.28 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.584 ' HG3' ' SD ' ' A' ' 668' ' ' MET . 8.6 mtt -64.68 -50.01 68.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.629 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 172.75 -14.61 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.694 0.759 . . . . 0.0 109.158 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.93 171.09 11.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.369 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -92.82 116.2 28.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.528 ' HE3' ' HB3' ' A' ' 47' ' ' CYS . 10.3 m95 -113.29 173.01 6.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.271 0.558 . . . . 0.0 110.746 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.64 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 3.3 p80 -135.98 -175.78 4.09 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.649 ' HA ' ' HA3' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -55.52 -45.38 77.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.744 0.247 . . . . 0.0 111.582 -178.182 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.753 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -81.67 -6.62 59.19 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -175.211 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -90.98 -47.09 7.77 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.858 -0.526 . . . . 0.0 110.328 177.323 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD11 ' HB2' ' A' ' 38' ' ' ALA . 4.5 mt -76.46 73.87 3.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.925 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 151.9 45.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.124 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 43.1 t -61.1 135.89 57.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -0.55 30.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.159 0.504 . . . . 0.0 110.506 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.9 -34.04 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 85.5 m -92.45 -35.4 13.67 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.71 0.29 . . . . 0.0 110.745 175.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.58 19.67 9.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.161 -169.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.26 130.24 35.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.804 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.753 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.81 108.98 10.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -176.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.41 -1.3 57.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.25 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 45' ' ' SER . . . -61.67 -25.16 65.12 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.834 -0.621 . . . . 0.0 113.948 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -99.95 12.42 36.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.353 0.597 . . . . 0.0 110.864 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 mt -117.11 140.99 37.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.207 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -81.94 13.83 35.38 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.944 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.73 124.94 42.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.723 0.297 . . . . 0.0 110.236 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HG3' ' A' ' 667' ' ' LYS . 1.1 m -79.96 130.32 35.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.046 0.451 . . . . 0.0 111.171 -175.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.24 172.56 12.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 177.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.773 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 77.4 m-85 -115.04 157.52 23.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.739 0.304 . . . . 0.0 110.697 -175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 159.37 42.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' H ' ' A' ' 68' ' ' SER . 2.7 tttm -159.55 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.775 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -81.38 60.28 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.588 -177.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.47 28.46 71.23 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.234 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.7 mtm -139.06 139.43 37.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.706 0.253 . . . . 0.0 110.554 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.74 112.04 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.042 0.448 . . . . 0.0 109.814 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 mp -116.56 155.91 27.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.634 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.863 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.5 p -68.94 176.31 3.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.812 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.773 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -59.88 -48.02 83.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.815 -178.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -73.15 -39.8 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.365 -175.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.863 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.3 OUTLIER -69.55 -42.57 74.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.857 -175.025 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.681 ' HE2' HD22 ' A' ' 663' ' ' LEU . 32.3 t80 -58.47 -46.19 87.1 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.701 -177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.452 ' HA ' ' HA2' ' A' ' 82' ' ' GLY . 32.7 mt -65.46 -37.27 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.024 0.44 . . . . 0.0 110.165 178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.099 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.97 -56.43 3.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.428 -177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -118.1 -71.19 0.75 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -175.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 78' ' ' ILE . . . . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.649 -1.084 . . . . 0.0 111.743 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.942 0.401 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 5.4 tp -114.96 86.55 2.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.148 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.59 135.66 53.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.127 0.489 . . . . 0.0 111.617 -176.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 30.5 t30 57.16 40.05 28.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.825 -1.08 . . . . 0.0 112.281 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -109.82 -77.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 54.12 48.49 20.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.632 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -73.0 108.75 6.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.617 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.62 119.97 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.266 -175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.71 85.04 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 177.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -12.74 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.5 -176.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -86.77 -12.77 47.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -68.15 -44.68 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.456 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.449 ' H ' HG13 ' A' ' 653' ' ' ILE . 0.0 OUTLIER -81.7 93.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.269 177.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -102.84 89.82 3.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.895 0.378 . . . . 0.0 110.751 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -69.37 120.03 14.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.6 49.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.035 0.445 . . . . 0.0 111.143 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 4.2 pt -133.65 -158.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.14 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.71 108.75 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.44 76.1 4.39 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 123.443 2.762 . . . . 0.0 113.31 -174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 83.55 22.92 55.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.05 173.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -90.08 -9.4 48.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 171.42 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.16 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 78' ' ' ILE . 2.5 mt -82.29 8.3 11.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.911 ' HA ' ' HG3' ' A' ' 667' ' ' LYS . 70.1 m -66.77 -21.71 66.05 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.234 -0.291 . . . . 0.0 111.441 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -23.06 56.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -100.86 10.02 41.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.725 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.911 ' HG3' ' HA ' ' A' ' 664' ' ' SER . 0.9 OUTLIER -72.8 136.08 45.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.39 0.614 . . . . 0.0 111.433 -176.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.409 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 26.4 ttp -117.59 120.05 36.88 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.258 172.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.83 126.59 39.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.231 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 3.3 t -84.27 118.14 31.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.693 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 140.52 29.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.71 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.61 119.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.679 0.276 . . . . 0.0 110.966 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.662 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -84.79 127.16 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.58 110.72 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.844 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.38 70.1 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -47.23 72.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.534 -172.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . 0.459 ' HA ' ' HG3' ' A' ' 680' ' ' GLN . 1.7 t0 -83.2 24.81 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.46 0.648 . . . . 0.0 111.883 -173.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -97.88 -27.21 9.09 Favored Glycine 0 N--CA 1.444 -0.771 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.021 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.93 -19.18 21.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.321 . . . . 0.0 111.064 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.459 ' HG3' ' HA ' ' A' ' 677' ' ' ASP . 2.6 pt20 -118.93 -47.73 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.621 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 55.4 m 57.86 43.76 21.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.814 0.816 . . . . 0.0 110.001 -176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.26 -19.37 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.416 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.79 -42.59 14.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.659 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -175.8 -63.27 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.027 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . 66.27 -107.28 1.9 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -175.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -107.64 -95.83 2.42 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 83.79 91.23 0.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.708 174.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 36.9 m -137.61 130.6 30.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -78.5 -34.54 35.47 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.351 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -83.69 -101.31 0.55 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.646 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -135.46 149.98 49.7 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 4.5 ttp -82.58 62.56 6.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.191 0.519 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -117.27 98.32 0.78 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.41 176.14 5.46 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -97.18 147.06 18.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.809 178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 64.17 -104.88 0.97 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.932 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -146.17 140.61 26.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 20' ' ' TRP . 0.8 OUTLIER -89.46 -31.4 17.71 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.251 -175.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.525 ' CH2' ' HE2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -113.41 -125.48 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.604 -175.046 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' H ' ' HB2' ' A' ' 20' ' ' TRP . 9.0 mmtt -121.28 140.64 51.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.174 0.512 . . . . 0.0 111.803 -173.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -89.71 138.61 31.33 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' HB3' HG13 ' A' ' 30' ' ' ILE . 8.3 p -91.77 154.8 18.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.092 0.472 . . . . 0.0 112.257 -171.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -169.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.523 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -68.91 -71.24 1.0 Allowed Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.399 -0.429 . . . . 0.0 113.476 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.09 -42.84 69.8 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 110.725 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.99 40.11 7.2 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.831 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.89 -78.23 0.3 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.816 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -176.35 143.32 0.5 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.597 HG23 ' HB3' ' A' ' 44' ' ' HIS . 14.4 mt -73.02 109.11 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.113 0.482 . . . . 0.0 110.476 178.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.29 35.16 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.665 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.594 ' CG ' ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -90.89 -111.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.388 176.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' H ' ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -155.8 -67.96 0.12 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -96.05 145.3 25.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.576 175.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.662 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 5.8 mp -93.43 139.11 31.06 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 -177.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -107.95 123.01 48.0 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.08 109.03 20.27 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.705 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -132.35 131.54 42.01 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.418 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.0 mtm 67.95 -61.39 0.38 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 124.106 0.878 . . . . 0.0 111.311 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -171.14 -20.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 122.567 0.347 . . . . 0.0 110.601 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.63 169.82 8.4 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.794 0.33 . . . . 0.0 111.385 -171.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' HB2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -99.68 117.1 33.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.586 177.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m95 -113.84 172.91 6.7 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.149 0.5 . . . . 0.0 110.935 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.8 p80 -131.94 -173.75 3.23 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 173.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -53.64 -46.26 70.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.047 0.385 . . . . 0.0 112.028 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -82.53 -6.89 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.926 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -99.85 -49.18 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.197 177.347 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -77.8 69.29 4.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.317 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -143.39 157.47 44.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.805 177.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 26.6 p -72.28 145.97 47.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.884 177.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -9.65 59.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -176.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.16 -47.47 6.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 -9.24 14.68 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.615 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER 64.83 40.27 5.61 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.56 -176.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 57' ' ' LEU . . . -77.35 106.43 9.1 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.637 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 1.1 mm100 -62.12 90.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 110.865 -177.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' ' 73' ' ' CYS . 4.0 mt -68.67 -16.56 63.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 -11.54 66.1 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.242 175.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -99.19 -6.55 27.99 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.311 1.053 . . . . 0.0 109.625 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 57' ' ' LEU . 21.8 mt -106.32 109.21 27.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.616 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.55 -4.34 84.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.346 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.71 157.24 30.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.911 0.386 . . . . 0.0 111.14 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.564 ' HB3' ' HD2' ' A' ' 667' ' ' LYS . 0.3 OUTLIER -59.75 117.04 4.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.46 -176.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.73 172.99 7.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.74 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -126.45 158.3 36.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.634 0.254 . . . . 0.0 110.767 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 t -152.59 170.92 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.354 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' HE2' ' OH ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -161.2 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -83.03 34.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.955 -175.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.47 28.2 71.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.525 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.04 143.06 46.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.695 0.283 . . . . 0.0 110.328 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 0.6 OUTLIER -102.01 108.61 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.624 178.677 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.759 ' HB3' ' HB3' ' A' ' 76' ' ' ASP . 0.7 OUTLIER -123.43 156.72 34.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 177.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.773 ' HA ' HD21 ' A' ' 57' ' ' LEU . 28.3 p -75.3 174.6 9.31 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.02 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -57.75 -38.24 75.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -29.85 31.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.714 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.759 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.44 -51.6 28.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -174.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' OH ' ' HE2' ' A' ' 67' ' ' LYS . 46.2 t80 -55.57 -43.9 76.34 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.45 0.469 . . . . 0.0 111.16 -175.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.526 HD11 HD11 ' A' ' 663' ' ' LEU . 12.5 mm -62.02 -39.64 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.822 -179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 79' ' ' ARG . 9.5 ttp85 -76.42 -40.39 50.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.112 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD23 ' CE1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -72.11 -56.31 5.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -178.148 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.446 ' CE1' HD23 ' A' ' 80' ' ' LEU . 73.6 m-85 -119.75 -80.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.022 0.439 . . . . 0.0 110.485 -177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.862 0 CA-C-O 118.615 -1.103 . . . . 0.0 111.109 -176.1 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.613 0.244 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.598 HD12 ' HG3' ' A' ' 643' ' ' GLN . 0.1 OUTLIER -78.9 -37.4 40.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.37 . . . . 0.0 110.7 179.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . 0.598 ' HG3' HD12 ' A' ' 642' ' ' LEU . 0.0 OUTLIER -84.13 85.95 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.14 -179.409 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -141.03 131.03 24.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -127.18 142.76 51.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.98 -2.07 12.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.17 0.509 . . . . 0.0 110.625 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -100.62 45.52 0.97 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.638 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 648' ' ' VAL . 2.2 t -58.49 -60.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.634 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.16 147.36 49.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.979 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -91.27 -10.74 40.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.159 0.504 . . . . 0.0 110.318 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.832 ' HA ' ' HG2' ' A' ' 654' ' ' GLN . 3.8 mp0 -67.28 -20.68 65.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.08 179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -32.02 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 110.544 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.17 41.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.55 0.691 . . . . 0.0 110.576 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . 0.832 ' HG2' ' HA ' ' A' ' 651' ' ' GLU . 17.7 mm-40 -84.59 -15.86 44.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.221 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -79.33 152.98 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.132 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 10.2 m -85.75 106.9 17.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 0.0 111.754 -172.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 657' ' ' ILE . 3.0 mm -73.32 139.01 20.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.727 175.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 12.3 t70 -66.26 115.74 26.64 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.421 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 10.2 Cg_endo -90.26 29.01 0.41 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.52 2.814 . . . . 0.0 112.181 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 95.01 31.54 7.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.748 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.9 76.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.522 0.677 . . . . 0.0 109.519 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 663' ' ' LEU . 8.5 t0 -127.36 169.46 13.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.635 173.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.667 ' HG ' ' HD2' ' A' ' 666' ' ' TYR . 3.6 mp 72.03 5.74 5.4 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.785 0.678 . . . . 0.0 110.587 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -35.66 81.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.959 -179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -83.9 -9.57 58.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.307 0.575 . . . . 0.0 110.473 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.667 ' HD2' ' HG ' ' A' ' 663' ' ' LEU . 21.1 m-30 -93.32 -17.43 23.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 145.34 37.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 111.767 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.451 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 19.8 ptp -103.41 152.82 21.17 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 170.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -90.75 117.49 29.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.424 HG11 ' HA2' ' A' ' 58' ' ' GLY . 3.3 t -83.74 95.31 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.357 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -97.18 144.26 27.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.55 129.37 75.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.11 122.99 38.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.134 0.492 . . . . 0.0 110.287 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.28 77.93 4.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.966 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.37 66.89 8.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.6 pttm -87.85 -5.03 58.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.13 0.49 . . . . 0.0 110.608 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.22 88.1 5.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.342 0.591 . . . . 0.0 110.071 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 157.78 -30.27 0.5 Allowed Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -18.83 49.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 110.26 174.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.92 118.41 31.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.712 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 25.05 7.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.29 0.567 . . . . 0.0 110.772 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 0.73 47.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.484 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 683' ' ' LEU . 0.0 OUTLIER -94.38 74.18 3.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.143 -179.166 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.1 -53.76 42.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.702 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -80.05 99.62 1.81 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.808 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -76.98 -15.64 81.49 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.006 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . -159.61 -156.77 8.24 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.905 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -37.69 69.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.211 0.529 . . . . 0.0 110.515 177.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 99.23 54.99 1.06 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -151.0 -32.8 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.415 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -135.0 103.11 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.85 0.357 . . . . 0.0 110.783 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.02 176.63 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.982 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 118.65 67.06 0.32 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.25 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.02 99.44 2.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.961 0.41 . . . . 0.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -96.64 -173.27 35.02 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.229 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 74.29 48.43 14.64 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.328 -177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 2.19 7.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.429 -177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -29.43 27.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.494 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER 49.68 -97.97 0.05 OUTLIER 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.232 -174.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -138.56 138.51 38.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.291 -179.056 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.11 130.15 44.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB3' HG13 ' A' ' 30' ' ' ILE . 19.7 p -82.34 154.77 25.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.123 0.487 . . . . 0.0 111.545 -175.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.75 -21.93 24.87 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.67 -169.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.05 -79.73 1.02 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.907 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -53.19 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 111.334 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 44.1 1.94 Allowed Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.059 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 174.01 21.58 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -71.63 126.63 30.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.36 0.58 . . . . 0.0 109.531 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' LYS . 4.9 mt -65.75 108.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.213 0.53 . . . . 0.0 110.884 -176.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.11 15.08 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.69 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 155.96 27.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 172.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.753 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 3.3 ttp180 -72.99 -55.34 6.67 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.306 -177.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.753 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 4.5 m-85 -100.86 121.89 42.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.056 0.455 . . . . 0.0 110.969 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.84 151.5 19.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.641 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.94 163.04 18.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.984 0.421 . . . . 0.0 111.457 -175.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 671' ' ' THR . 0.2 OUTLIER -117.21 148.98 41.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.625 178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -137.18 -74.64 0.42 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 mtm -91.15 -76.77 0.43 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.326 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -151.02 -0.02 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.015 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.3 168.04 12.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.404 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -103.39 123.02 46.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.5 m95 -118.65 -179.89 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.142 0.496 . . . . 0.0 111.179 -174.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.644 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 2.8 p80 -145.93 -171.48 3.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.717 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -50.19 58.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -77.49 -11.73 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -102.18 -43.03 5.85 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.038 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -76.85 71.44 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.466 0.65 . . . . 0.0 110.522 -176.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.2 164.46 30.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.654 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 55' ' ' ALA . 48.8 t -60.62 131.78 51.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.479 172.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -78.7 -7.16 57.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.142 0.496 . . . . 0.0 110.238 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.492 ' HB3' ' CG ' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -98.37 -51.76 3.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.668 -176.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.2 p -113.46 -4.67 13.55 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.681 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 6.2 mm100 66.91 37.54 3.94 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.422 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' H ' ' HB3' ' A' ' 50' ' ' CYS . . . -91.64 133.89 35.17 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.75 126.44 29.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.7 0.286 . . . . 0.0 110.994 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 ' HB3' ' A' ' 64' ' ' SER . 2.9 mt -105.57 1.24 27.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.064 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' HA2' HG11 ' A' ' 670' ' ' VAL . . . -92.1 -52.96 2.12 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.604 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -85.5 8.15 20.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.44 0.638 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.0 mm -123.88 143.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 0.0 108.897 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.65 39.87 1.32 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.142 -0.552 . . . . 0.0 113.612 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.22 126.28 47.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.767 0.284 . . . . 0.0 110.661 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 119.79 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.711 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -77.73 135.43 38.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.403 . . . . 0.0 110.653 179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.846 ' HE2' ' HG3' ' A' ' 74' ' ' ARG . 72.9 m-85 -112.62 152.57 28.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.14 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -142.81 178.24 7.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 0.0 111.158 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 7.1 tttp -164.73 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.248 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.02 39.39 1.8 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.637 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.92 -25.1 3.61 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 116.02 -0.537 . . . . 0.0 113.265 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttm -68.31 137.57 54.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.218 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.14 122.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.908 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 76' ' ' ASP . 3.6 mp -133.7 156.66 47.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.722 0.296 . . . . 0.0 110.924 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 28.0 p -76.95 176.35 8.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.147 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.846 ' HG3' ' HE2' ' A' ' 65' ' ' TYR . 6.7 ttt85 -63.1 -34.15 76.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -45.37 22.55 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -69.37 -39.98 77.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.496 -175.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -62.84 -42.77 99.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.361 -177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.0 mm -68.6 -33.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.155 0.503 . . . . 0.0 110.284 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 ttm105 -69.87 -39.56 76.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.418 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -83.53 -60.45 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.82 -176.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.419 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 30.4 m-85 -119.99 -92.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.881 0.372 . . . . 0.0 110.938 -175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.704 -1.053 . . . . 0.0 111.623 -177.303 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 4.8 tp -85.0 62.67 7.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.244 0.545 . . . . 0.0 111.433 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -87.71 99.14 11.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -68.66 -65.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.774 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -162.7 137.02 6.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.379 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.71 85.24 7.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -47.76 122.2 4.73 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.63 125.69 74.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.281 -172.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.22 125.08 38.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 167.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . 0.597 ' HB2' ' OD1' ' A' ' 652' ' ' ASN . 7.9 m-85 -85.88 172.47 10.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.626 0.25 . . . . 0.0 110.878 -175.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.41 -14.79 58.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -175.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . 0.597 ' OD1' ' HB2' ' A' ' 650' ' ' PHE . 1.7 p30 -77.24 -34.01 55.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.998 0.428 . . . . 0.0 110.283 177.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.489 HG13 ' OD1' ' A' ' 652' ' ' ASN . 0.9 OUTLIER -90.69 62.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.262 0.554 . . . . 0.0 111.036 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -87.83 84.58 7.01 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . 0.58 ' HB2' HG12 ' A' ' 657' ' ' ILE . 0.0 OUTLIER -67.41 134.99 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.634 -176.041 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.28 37.08 1.11 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.698 175.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.58 HG12 ' HB2' ' A' ' 655' ' ' TRP . 2.0 pt -76.47 179.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.328 -177.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.503 ' HB3' ' HB2' ' A' ' 661' ' ' ALA . 10.1 t70 -100.19 116.92 64.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.63 176.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.22 -5.36 13.57 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.265 2.644 . . . . 0.0 113.043 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -120.2 15.14 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.005 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.503 ' HB2' ' HB3' ' A' ' 658' ' ' ASP . . . -90.52 -25.0 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.887 0.375 . . . . 0.0 111.442 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -98.0 118.71 35.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.622 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.507 HD11 HG12 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -106.04 -10.68 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.4 ' HA ' ' CD ' ' A' ' 667' ' ' LYS . 0.7 OUTLIER -67.82 -34.74 77.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 -174.236 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -23.84 67.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.166 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -100.15 8.42 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.702 -175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 664' ' ' SER . 1.0 OUTLIER -81.28 123.9 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.756 0.313 . . . . 0.0 110.741 179.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.448 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . 10.1 ptp -90.82 153.33 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.545 178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -99.58 113.15 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.976 0.417 . . . . 0.0 110.653 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 2.2 t -84.76 94.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -89.87 110.45 21.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.616 177.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.82 122.03 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.65 HD13 HD12 ' A' ' 35' ' ' LEU . 3.6 mp -96.36 123.12 48.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 4.9 m-20 -79.67 102.25 8.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.042 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.85 114.54 10.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.556 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.71 -34.59 19.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.578 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.35 59.78 2.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.417 0.627 . . . . 0.0 110.526 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -152.96 -42.34 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.187 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -14.74 58.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 0.0 110.912 177.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.95 91.02 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.29 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -17.89 54.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.329 -176.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -10.88 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 108.0 2.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 127.12 -20.53 5.92 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.755 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -132.09 52.47 0.83 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.402 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -99.58 66.74 0.61 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.305 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 151.44 -162.19 29.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.646 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.62 -164.02 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 87.02 -56.51 4.62 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.043 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -153.93 -162.85 11.39 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.636 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.1 98.16 4.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.884 0.374 . . . . 0.0 110.555 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -47.9 74.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.501 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 71.65 -162.53 54.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.679 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.92 134.4 37.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -85.01 53.22 4.79 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.498 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . 138.7 100.46 0.5 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.931 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.0 17.57 10.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.275 0.559 . . . . 0.0 110.525 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.84 23.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.194 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' HB2' ' H ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER 50.51 -113.33 0.67 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.914 -177.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' HB3' HD12 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -119.93 136.54 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.8 tpt180 -92.27 144.95 24.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.7 t -90.98 154.66 19.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.85 16.29 15.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.218 0.532 . . . . 0.0 110.51 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.0 -54.95 0.52 Allowed Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.275 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.1 p -94.91 -95.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.506 0.653 . . . . 0.0 110.802 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.39 77.3 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.14 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.1 -152.16 23.71 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.272 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -100.42 157.56 16.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 178.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.637 HD13 ' HB3' ' A' ' 35' ' ' LEU . 13.3 mt -73.49 109.4 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.78 10.69 28.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.632 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -82.45 11.4 5.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.486 178.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER 72.43 -68.52 0.22 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.092 -176.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 2.9 m-85 -93.66 126.55 38.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.082 0.468 . . . . 0.0 111.155 -174.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 673' ' ' ILE . 0.0 OUTLIER -100.09 147.64 25.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.169 179.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.9 164.27 20.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.618 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -116.85 150.0 39.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.108 178.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -136.51 -86.82 0.33 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.136 176.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -83.34 -79.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.24 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -137.68 -7.33 1.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.44 170.26 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.687 -169.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.407 ' HB3' HD11 ' A' ' 30' ' ' ILE . 28.9 m-85 -89.64 137.3 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.844 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.58 ' CB ' ' HG ' ' A' ' 48' ' ' LEU . 22.0 m95 -134.27 179.5 6.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.015 0.436 . . . . 0.0 110.684 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.62 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -145.66 174.26 11.35 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 175.535 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -49.3 21.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.59 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -172.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 49' ' ' LYS . 1.2 m -101.6 -32.79 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -75.67 68.08 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.628 0.727 . . . . 0.0 109.844 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -131.56 162.76 29.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.209 -177.312 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 40.7 t -63.19 132.11 50.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.219 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -75.06 -9.37 58.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.126 0.488 . . . . 0.0 110.453 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 -51.3 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -113.06 0.25 14.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.453 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 66.75 20.94 10.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.214 177.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.02 117.1 7.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.44 0.162 . . . . 0.0 110.568 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 58.8 mt-30 -75.12 86.11 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.819 0.343 . . . . 0.0 110.261 -178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.4 OUTLIER -74.85 -22.57 58.61 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.237 -176.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.45 -14.06 71.58 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.683 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -98.25 8.67 44.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.489 0.661 . . . . 0.0 110.216 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 57' ' ' LEU . 14.9 mt -117.18 -58.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.356 179.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 -19.84 11.41 Favored Glycine 0 C--N 1.316 -0.529 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.143 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.87 143.48 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.49 118.44 8.14 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.455 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.584 ' HB3' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -81.69 179.7 7.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.972 172.548 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' HE1' ' HB3' ' A' ' 74' ' ' ARG . 92.3 m-85 -124.84 166.48 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.71 0.29 . . . . 0.0 110.754 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 t -158.05 175.09 14.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -167.3 -65.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.806 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.26 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.95 -24.29 2.87 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.257 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.3 mtm -78.2 141.14 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.633 -0.333 . . . . 0.0 110.638 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' HE1' ' A' ' 668' ' ' MET . 0.5 OUTLIER -89.79 123.63 42.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 177.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 76' ' ' ASP . 4.6 mp -130.23 149.06 52.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.75 0.309 . . . . 0.0 110.557 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 30.7 p -71.39 170.56 12.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.163 0.506 . . . . 0.0 110.585 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.593 ' HB3' ' HE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.26 -29.81 71.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -77.76 -45.56 24.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.724 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.603 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -74.55 -38.19 62.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.077 -172.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -58.69 -43.58 90.05 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.145 -176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.507 HG12 HD11 ' A' ' 663' ' ' LEU . 13.3 mt -70.76 -32.26 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.161 0.505 . . . . 0.0 110.695 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.7 OUTLIER -72.66 -38.19 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.454 178.42 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -81.71 -62.59 1.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.779 -177.078 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -108.28 -80.91 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.482 -172.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.727 -1.04 . . . . 0.0 110.674 -171.296 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.15 -26.86 22.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.619 0.723 . . . . 0.0 109.623 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -81.88 86.35 6.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.367 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -69.04 90.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.703 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -68.9 134.98 50.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.616 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.65 75.89 0.25 Allowed 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.723 0.639 . . . . 0.0 109.758 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -71.16 74.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.049 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 12.6 p -153.39 -31.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.627 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.56 85.0 2.06 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.151 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.85 118.25 8.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.636 -176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.97 -15.77 35.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.668 176.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.03 -35.12 74.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.308 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.94 136.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.654 0.264 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -132.49 44.0 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.27 0.557 . . . . 0.0 110.196 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . 0.525 ' HB3' HG23 ' A' ' 657' ' ' ILE . 12.1 m95 -74.02 154.12 39.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.848 -178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.13 56.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.05 0.452 . . . . 0.0 110.541 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 657' ' ' ILE . 0.2 OUTLIER -112.5 -170.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -178.641 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 9.5 t0 -63.69 122.74 78.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.129 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 22.1 Cg_exo -65.61 -13.53 40.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.011 2.474 . . . . 0.0 112.62 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . 124.21 25.32 1.67 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.909 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.41 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.47 68.24 0.73 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.638 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.635 HD22 ' HE2' ' A' ' 77' ' ' TYR . 23.1 mt -103.19 15.45 29.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.926 -178.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . 0.471 ' HA ' ' HD2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -64.89 -29.83 70.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.633 -177.096 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -72.93 -28.43 62.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.512 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 663' ' ' LEU . 5.0 m-85 -93.14 -10.14 36.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -178.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.589 ' HG3' ' CE1' ' A' ' 65' ' ' TYR . 7.7 mttt -65.73 121.32 14.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 16.6 ptp -91.3 123.12 34.5 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.198 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.78 114.42 16.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.026 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 11.5 t -83.77 94.99 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 109.674 178.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 106.65 18.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.731 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . 0.592 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.9 t -85.6 115.28 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.811 -176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.409 ' HB ' ' HB2' ' A' ' 35' ' ' LEU . 1.3 mp -84.94 122.55 38.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.672 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.628 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 1.2 t70 -73.06 95.32 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.38 131.43 42.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.171 -175.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -25.11 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.955 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 107.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.671 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 120.62 -45.71 1.2 Allowed Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.622 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -48.27 14.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -93.2 43.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.235 0.54 . . . . 0.0 110.0 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 907' ' ' MET . 0.0 OUTLIER -60.3 -34.07 73.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.285 -177.356 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.07 -32.44 74.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.865 -177.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 -19.39 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.871 0.367 . . . . 0.0 111.5 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -78.36 7.21 47.95 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.398 -176.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . . . . . . . . . . . -73.61 102.26 1.27 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.046 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -77.19 82.6 1.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.588 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 144.21 -154.04 25.44 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.786 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.25 82.85 2.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.921 0.391 . . . . 0.0 110.387 177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . -160.65 -66.5 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.246 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . . . . . . . . . . . -132.52 -135.89 3.72 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.966 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -135.35 174.36 10.7 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . 0.481 ' HB3' ' HA ' ' A' ' 681' ' ' SER . 8.9 tpt -84.3 77.27 10.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.894 0.378 . . . . 0.0 110.554 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . -81.55 82.49 1.57 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . 0.494 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -61.98 100.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.217 0.532 . . . . 0.0 111.845 -177.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -147.49 -58.56 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.47 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -103.42 -3.47 47.28 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB2' ' NE1' ' A' ' 20' ' ' TRP . 1.6 mt -68.54 174.69 3.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.576 0.227 . . . . 0.0 110.651 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -39.29 9.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -174.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.562 ' HZ3' ' HB2' ' A' ' 31' ' ' ALA . 1.0 OUTLIER 56.71 -108.76 0.45 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.729 0.643 . . . . 0.0 110.955 -178.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -122.3 130.97 53.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 135.47 50.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.92 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.17 135.92 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.72 -44.76 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -164.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' N ' ' SG ' ' A' ' 47' ' ' CYS . . . -69.06 -65.01 2.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.552 -175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -31.73 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.514 0.197 . . . . 0.0 111.16 179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.83 44.97 5.29 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.57 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.88 -116.48 1.63 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.861 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HE3' ' CZ3' ' A' ' 20' ' ' TRP . 0.7 OUTLIER -145.98 143.95 29.8 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.271 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.5 mt -75.96 106.44 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.27 0.557 . . . . 0.0 110.351 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB2' ' HZ3' ' A' ' 20' ' ' TRP . . . -122.24 14.46 10.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.418 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.9 -80.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.039 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG2' ' HD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -165.91 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.856 173.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.671 ' HD1' ' HG2' ' A' ' 33' ' ' ARG . 3.8 m-85 -101.31 148.89 24.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.468 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 673' ' ' ILE . 4.0 mp -95.81 126.46 41.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.666 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 672' ' ' VAL . 0.4 OUTLIER -113.49 135.34 54.0 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.038 0.447 . . . . 0.0 110.819 -178.489 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 670' ' ' VAL . 0.4 OUTLIER -92.12 149.15 21.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.159 176.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -135.57 -50.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 110.697 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -133.39 -73.24 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.27 -8.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.232 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.52 167.7 10.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.695 -175.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.58 129.07 47.61 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.686 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 4.3 m95 -125.39 169.06 12.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.389 0.614 . . . . 0.0 111.034 -176.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.691 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 1.3 p80 -123.79 -171.41 2.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 170.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.512 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -62.18 -37.57 85.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.129 0.422 . . . . 0.0 111.396 -175.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -14.01 58.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.744 -177.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.691 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.83 -52.3 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 38' ' ' ALA . 1.2 mt -78.58 83.9 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.393 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -138.49 157.71 45.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.469 179.129 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 51.9 t -62.18 131.19 48.65 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m -69.23 -11.29 60.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.999 0.428 . . . . 0.0 110.177 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 -41.75 5.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.06 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.796 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 64.7 m -84.19 -34.82 23.89 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 9.7 mm100 66.69 13.22 9.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.42 -167.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 130.93 35.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.392 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.847 ' HB2' ' HB2' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -68.51 95.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.176 -174.611 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' H ' ' HA ' ' A' ' 49' ' ' LYS . 19.5 mt -65.97 -21.08 66.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.218 0.532 . . . . 0.0 109.965 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 36' ' ' LEU . . . -77.31 -13.1 83.94 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.162 175.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -100.04 -5.63 27.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.387 0.613 . . . . 0.0 110.336 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.08 104.57 6.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.36 47.27 2.01 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.173 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 129.43 49.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 173.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.57 113.25 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 112.018 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -178.89 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.694 174.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 79.5 m-85 -131.71 154.8 48.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.439 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 666' ' ' TYR . 5.0 t -139.96 159.49 42.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.738 173.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -161.15 -63.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.027 0.441 . . . . 0.0 110.656 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.23 13.73 3.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.768 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.26 61.93 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.292 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -113.44 145.04 41.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.611 0.243 . . . . 0.0 110.464 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mt -90.17 108.39 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 161.07 30.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.877 0.37 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 27.4 p -72.47 176.25 5.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.243 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.66 ' HA ' ' HD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -65.88 -33.49 75.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.566 -179.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -80.06 -45.37 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.676 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -65.06 -36.71 85.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.22 -176.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.635 ' HE2' HD22 ' A' ' 663' ' ' LEU . 28.3 t80 -63.69 -44.35 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.228 177.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.27 -39.59 86.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.013 0.435 . . . . 0.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -62.1 -38.72 89.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.485 177.096 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 1.1 mp -75.85 -52.48 10.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.306 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 80' ' ' LEU . 64.3 m-85 -126.89 -79.73 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.921 0.391 . . . . 0.0 111.232 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.258 -1.301 . . . . 0.0 111.05 -174.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.662 0.268 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.06 66.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.053 0.454 . . . . 0.0 111.027 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.42 74.87 9.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.982 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.97 85.65 2.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.175 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -140.44 106.21 5.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -137.07 46.46 2.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.406 0.622 . . . . 0.0 109.916 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -68.5 119.1 12.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.837 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 135.11 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.338 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.48 127.75 33.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.259 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' PHE . . . . . 0.545 ' HB2' HD12 ' A' ' 653' ' ' ILE . 28.6 m-85 -112.6 164.13 13.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.445 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.72 -37.49 82.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.877 0.37 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.73 -24.41 61.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.869 0.366 . . . . 0.0 111.087 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 650' ' ' PHE . 1.3 mt -115.09 74.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.968 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -102.0 90.15 3.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 -176.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -99.71 -163.03 0.99 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.5 89.88 0.97 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 111.025 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.29 162.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.746 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.486 ' HA ' ' HD3' ' A' ' 659' ' ' PRO . 11.7 t70 -74.09 123.3 89.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.354 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 658' ' ' ASP . 17.4 Cg_exo -67.61 -12.28 35.05 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.035 2.49 . . . . 0.0 112.534 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLY . . . . . . . . . . . . . . . -117.25 33.57 4.95 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.733 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -66.17 -25.92 67.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.038 0.447 . . . . 0.0 110.827 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -94.86 117.74 30.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.378 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' LEU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 666' ' ' TYR . 0.6 OUTLIER -80.01 61.19 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.683 -178.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -41.98 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.024 -175.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -17.66 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.477 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' TYR . . . . . 0.748 ' HD2' ' HB3' ' A' ' 663' ' ' LEU . 51.1 m-85 -100.43 -5.18 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.351 -176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 65' ' ' TYR . 12.5 mttp -69.57 117.99 11.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.806 -177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -102.88 136.69 42.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.632 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.58 138.59 36.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.004 0.43 . . . . 0.0 110.438 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.32 95.0 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.245 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.16 112.02 22.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.843 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -89.34 134.82 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.225 -179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.42 133.3 59.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.642 0.258 . . . . 0.0 110.761 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.572 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 9.1 t70 -74.8 118.82 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.986 176.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . 0.443 HG23 HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -91.82 17.96 8.37 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -173.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' OD1' ' A' ' 674' ' ' ASP . 1.2 ttmt -75.17 -32.96 61.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.193 -0.317 . . . . 0.0 111.645 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.76 17.42 0.71 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.678 0.752 . . . . 0.0 112.142 -174.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -115.0 -31.51 2.06 Favored Glycine 0 C--N 1.313 -0.75 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.031 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -1.57 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.48 -177.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.518 ' HB3' ' HB2' ' A' ' 683' ' ' LEU . 4.5 mm100 -78.01 70.94 4.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -22.41 33.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.254 174.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -90.67 -33.22 15.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.595 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 680' ' ' GLN . 0.1 OUTLIER -72.96 120.31 18.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.139 0.495 . . . . 0.0 110.043 178.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . 113.33 -7.13 24.83 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' GLY . . . . . 0.539 ' HA2' ' HA3' ' A' ' 905' ' ' GLY . . . -135.41 46.08 1.06 Allowed Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . -80.15 64.21 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.362 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . 155.63 -163.5 31.7 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 903' ' ' SER . . . . . . . . . . . . . 1.5 m -87.6 109.6 19.77 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.974 0.387 . . . . 0.0 110.6 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 904' ' ' GLY . . . . . . . . . . . . . . . 114.45 47.23 0.59 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.211 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 905' ' ' GLY . . . . . 0.539 ' HA3' ' HA2' ' A' ' 685' ' ' GLY . . . -150.52 30.77 1.04 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.381 178.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 906' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -83.0 78.66 9.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.338 0.59 . . . . 0.0 109.999 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -89.88 -36.03 15.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.878 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' GLY . . . . . . . . . . . . . . . 71.72 -178.01 36.68 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.068 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.09 94.18 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.813 0.339 . . . . 0.0 110.385 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' GLY . . . . . . . . . . . . . . . -69.88 -35.65 72.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.82 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.95 63.53 4.04 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.934 177.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 18' ' ' LEU . 6.6 mt -75.51 -4.53 40.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -1.39 56.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.471 175.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 51.11 -113.92 0.75 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.057 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HG3' HD22 ' A' ' 35' ' ' LEU . 39.7 mmtt -122.29 131.05 53.73 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 126.43 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.989 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.5 t -81.67 154.04 26.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.472 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.38 -5.42 20.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.76 -55.8 1.96 Allowed Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.501 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 p -96.48 -26.09 15.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.934 0.367 . . . . 0.0 110.709 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.57 2.81 58.63 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.746 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.03 -159.64 23.47 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -99.88 151.64 21.06 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 44' ' ' HIS . 21.7 mt -67.2 108.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.422 -178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.29 25.96 8.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 1.2 t0 -90.49 -169.18 2.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.021 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -70.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 674' ' ' ASP . 4.2 m-85 -102.97 143.57 32.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.968 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 21' ' ' LYS . 1.5 pp -100.5 149.78 23.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.37 162.88 22.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.92 149.39 31.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.173 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB2' HD21 ' A' ' 48' ' ' LEU . . . -143.03 -98.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.447 ' H ' ' HG2' ' A' ' 39' ' ' MET . 3.6 ptp -84.1 52.85 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.423 0.63 . . . . 0.0 110.058 175.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.89 27.85 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.964 178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.36 9.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.3 m-85 -88.11 131.99 34.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 17.8 m95 -134.65 165.51 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.26 0.552 . . . . 0.0 111.608 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.811 ' HB3' HG23 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.7 167.94 20.68 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 172.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -29.69 34.63 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -172.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -41.6 73.64 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -98.37 -31.39 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.514 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -76.69 69.69 3.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.576 0.703 . . . . 0.0 109.955 177.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -145.38 165.5 28.31 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.342 177.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 54' ' ' GLN . 51.0 t -60.75 134.27 56.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.915 174.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -8.86 59.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.529 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.39 -46.0 6.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -109.47 -13.46 14.57 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.067 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 68.62 22.08 7.7 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.258 174.647 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.68 127.68 33.43 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.567 ' HA ' ' HB3' ' A' ' 49' ' ' LYS . 2.4 mp0 -59.77 97.82 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.428 0.455 . . . . 0.0 111.34 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -64.8 -23.33 67.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -176.75 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.9 -28.45 66.83 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.583 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -92.1 6.44 46.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.467 0.651 . . . . 0.0 110.916 -177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.2 mt -120.52 -54.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.27 23.24 22.63 Favored Glycine 0 C--N 1.313 -0.702 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.185 -176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 127.32 32.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.337 -0.432 . . . . 0.0 111.317 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.41 96.71 0.08 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.25 165.38 24.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.765 -176.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' A' ' 667' ' ' LYS . 81.7 m-85 -123.09 153.77 39.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.149 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -136.21 162.65 32.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.967 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 666' ' ' TYR . 15.2 tttp -160.69 -78.48 0.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.59 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 33.73 0.59 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.165 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.77 17.17 80.07 Favored Glycine 0 C--N 1.329 0.189 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.07 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.65 135.69 50.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -178.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.18 115.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.984 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.529 ' HG ' ' OG ' ' A' ' 52' ' ' SER . 2.9 mp -131.63 148.73 52.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.752 -178.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 76' ' ' ASP . 24.1 p -74.61 173.43 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 0.0 110.837 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -57.79 -46.23 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.225 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.78 -44.96 60.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.954 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.677 ' HB2' ' SG ' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -68.01 -37.65 81.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.869 -172.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 81' ' ' PHE . 33.4 t80 -59.89 -44.0 94.46 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.741 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.23 -36.41 77.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -67.62 -44.61 77.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.24 -62.15 1.77 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.98 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . 63.3 m-85 -107.07 -90.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 -173.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.789 -1.006 . . . . 0.0 111.461 -176.527 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_