data_1emx_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 1emx _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' CYS . 34.9 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.616 0.246 . . . . 1.0 110.803 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.2 p 41.97 -174.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.026 -0.533 . . . . 1.0 112.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -54.02 170.67 1.04 Allowed Glycine 0 N--CA 1.429 -1.788 0 CA-C-N 116.042 -0.526 . . . . 1.0 113.587 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 176.96 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.802 0.334 . . . . 1.0 110.733 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -67.87 120.16 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.992 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 25.1 m-85 73.36 -1.79 2.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.75 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -71.11 71.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 1.0 111.43 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 33.49 -147.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.748 -0.66 . . . . 1.0 113.354 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.86 80.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 1.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -70.1 160.06 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.238 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -79.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.268 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 15' ' ' ASP . 27.0 t30 -64.13 -50.15 69.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.977 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -70.77 14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.532 0.567 . . . . 1.0 112.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' CYS . 35.5 t70 -39.15 66.92 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 123.871 0.868 . . . . 1.0 111.603 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.843 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.7 m 6.96 116.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.676 -1.602 . . . . 1.0 113.323 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -39.71 162.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.892 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.21 120.78 11.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.856 -0.611 . . . . 1.0 112.055 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.15 -53.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.76 178.26 4.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.219 -0.49 . . . . 1.0 110.383 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 27.2 m -98.14 -176.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.651 0.262 . . . . 1.0 111.302 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.52 30.28 7.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.194 0.521 . . . . 1.0 110.989 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -70.42 -154.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.659 -0.7 . . . . 1.0 109.656 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 1.7 mp -47.38 -29.56 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.153 0.501 . . . . 1.0 110.24 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.86 163.99 30.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.076 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -86.19 47.06 1.41 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.654 -0.869 . . . . 1.0 108.654 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.31 163.57 27.9 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.86 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -51.49 163.62 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.294 0.568 . . . . 1.0 110.563 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.219 -179.569 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 3' ' ' CYS . 27.9 t70 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.608 0.242 . . . . 1.0 110.796 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.01 172.0 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.566 0.58 . . . . 1.0 112.566 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.28 170.05 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 116.021 -0.536 . . . . 1.0 113.944 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 24.1 mtpt -142.03 173.02 11.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.685 0.279 . . . . 1.0 110.495 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -44.58 98.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.756 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 9.2 m-85 74.09 1.29 3.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.101 0.408 . . . . 1.0 112.101 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 70.95 0.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 1.0 111.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.58 -147.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.524 -0.762 . . . . 1.0 113.588 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.36 82.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.888 0.375 . . . . 1.0 110.756 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.02 -179.6 1.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.329 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.205 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.5 t30 -54.04 -55.91 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.628 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.23 27.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.535 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.81 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.167 0.987 . . . . 1.0 112.799 -178.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.49 123.96 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.457 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 m -53.0 164.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.833 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.65 57.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.64 -67.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.563 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.4 164.93 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.689 0.281 . . . . 1.0 110.575 179.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -166.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.852 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -128.27 33.19 4.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.005 0.431 . . . . 1.0 111.254 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -70.19 -155.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.724 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 5.7 mt -46.46 -29.96 1.97 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.079 0.466 . . . . 1.0 110.296 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.832 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.57 170.61 15.69 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.425 178.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -81.82 64.41 6.51 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.521 -1.289 . . . . 1.0 107.521 176.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 8.2 tttt -71.61 136.46 47.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.249 -1.341 . . . . 1.0 112.516 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.0 161.87 29.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.304 178.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.248 -0.887 . . . . 1.0 110.865 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.7 p-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.638 0.256 . . . . 1.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 2' ' ' ASP . 13.8 p 42.48 -179.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.429 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.37 170.13 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.46 0 CA-C-N 115.781 -0.645 . . . . 1.0 113.885 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.627 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 8.6 mtmm -139.61 -165.25 1.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.997 -0.371 . . . . 1.0 109.997 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 7' ' ' PHE . 1.7 mt -70.86 95.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.86 -0.155 . . . . 1.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 20.0 m-85 72.61 4.04 4.87 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 111.952 0.352 . . . . 1.0 111.952 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.8 m -70.5 69.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 1.0 111.546 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 29.97 -147.05 0.01 OUTLIER Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.495 -0.775 . . . . 1.0 113.843 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.24 92.66 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 1.0 110.95 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -70.08 -156.34 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.173 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p -57.67 -158.96 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 15' ' ' ASP . 29.7 t30 -40.78 -39.63 1.15 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 1.0 111.163 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -71.21 25.67 0.04 OUTLIER 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.609 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 m-20 -38.86 -60.67 0.82 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.636 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 91.0 m -155.27 119.33 4.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.967 0.413 . . . . 1.0 111.631 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.4 179.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.018 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.36 60.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 1.0 112.161 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.25 -67.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -92.28 165.75 12.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.604 -0.298 . . . . 1.0 110.465 179.288 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 5.8 m -92.73 179.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 1.0 111.389 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -114.45 29.99 7.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.214 0.531 . . . . 1.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -70.46 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 1.0 109.642 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.6 mt -48.34 -29.0 3.5 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.149 0.499 . . . . 1.0 110.222 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.56 168.56 19.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.287 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 8.4 t -89.11 47.51 1.5 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.458 -0.942 . . . . 1.0 108.458 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.21 163.61 27.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.37 -1.286 . . . . 1.0 111.821 -178.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -52.05 163.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.311 0.577 . . . . 1.0 110.477 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 115.051 -0.977 . . . . 1.0 111.221 -179.563 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.7 t70 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.588 0.232 . . . . 1.0 110.829 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 43.9 172.61 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.76 170.65 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.483 0 CA-C-N 116.048 -0.524 . . . . 1.0 113.921 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 3.3 mtpt -139.96 172.49 12.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.687 0.279 . . . . 1.0 110.5 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -46.25 100.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.637 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.825 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.9 m-85 73.78 2.15 4.14 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.7 70.06 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.399 . . . . 1.0 111.407 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.15 -147.22 0.01 OUTLIER Glycine 0 N--CA 1.461 0.3 0 CA-C-N 115.501 -0.772 . . . . 1.0 113.82 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 m -144.45 84.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.32 . . . . 1.0 110.827 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.08 173.67 6.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.246 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -87.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.488 . . . . 1.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.9 t30 -54.76 -54.84 36.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.486 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.71 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 28.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.485 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.46 56.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.183 0.993 . . . . 1.0 112.77 -178.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.86 125.0 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.193 -0.912 . . . . 1.0 112.617 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 19.5 m -54.25 163.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.75 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.64 -0.791 . . . . 1.0 111.635 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.495 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.96 158.43 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.794 0.33 . . . . 1.0 110.679 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 m -78.67 -179.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.83 33.81 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.389 . . . . 1.0 111.267 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -70.14 -149.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.594 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 3.4 mt -48.31 -29.25 3.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.172 0.511 . . . . 1.0 110.133 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.825 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -142.44 171.24 14.32 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.406 178.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -82.59 64.17 7.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 176.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 136.74 47.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.303 -1.317 . . . . 1.0 112.537 -177.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.2 161.15 30.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.279 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.86 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.3 t0 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.571 0.224 . . . . 1.0 110.811 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.23 162.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.52 169.29 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.608 -0.724 . . . . 1.0 113.837 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.5 mtpt -140.6 169.5 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.0 110.667 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -43.23 97.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.848 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.6 m-85 75.31 -1.12 3.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.142 0.423 . . . . 1.0 112.142 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.5 m -70.83 70.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 1.0 111.368 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.65 -146.32 0.01 OUTLIER Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.642 -0.708 . . . . 1.0 113.463 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 88.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.837 0.351 . . . . 1.0 110.773 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.06 -175.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -85.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.211 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.2 t-20 -56.91 -54.74 43.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.17 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.696 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.09 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.891 0.876 . . . . 1.0 112.303 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 60.62 120.13 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.335 -0.848 . . . . 1.0 112.04 178.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 172.91 0.68 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.835 -1.075 . . . . 1.0 111.018 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.88 58.01 0.21 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.195 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.42 -67.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.518 -0.849 . . . . 1.0 111.692 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.03 158.55 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.767 0.317 . . . . 1.0 110.718 179.488 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -78.94 172.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.302 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.9 t -113.18 31.04 6.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.031 0.444 . . . . 1.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -70.37 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.773 -0.649 . . . . 1.0 109.656 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -47.74 -28.98 2.75 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.12 0.486 . . . . 1.0 110.224 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.848 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.93 174.33 10.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.663 179.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -92.36 57.8 3.08 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.849 -1.167 . . . . 1.0 107.849 176.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.436 -1.256 . . . . 1.0 111.491 -178.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 4.8 mp -61.08 156.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 1.0 110.658 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.979 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.0 p-10 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.523 0.201 . . . . 1.0 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.3 p 44.67 163.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.55 0.69 . . . . 1.0 112.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.0 169.48 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.319 -0.855 . . . . 1.0 113.721 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 9.8 mtmm -140.02 170.71 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 1.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt -43.91 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.971 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 74.86 1.06 3.7 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.145 0.424 . . . . 1.0 112.145 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 2.5 m -70.78 68.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 1.0 111.365 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.64 -146.58 0.01 OUTLIER Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.725 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.58 87.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.917 0.389 . . . . 1.0 110.691 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -70.02 -158.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.176 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 13' ' ' ASN . 4.7 t -61.49 -131.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.866 0.365 . . . . 1.0 111.128 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.501 ' N ' ' OG1' ' A' ' 12' ' ' THR . 25.1 t30 -45.41 -41.03 8.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.723 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -71.09 19.71 0.05 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.824 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.2 m-20 -38.79 -49.49 1.62 Allowed 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.477 0.311 . . . . 1.0 111.797 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -179.53 123.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.363 0.601 . . . . 1.0 111.308 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 171.61 0.82 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 60.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.54 -0.755 . . . . 1.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.39 -66.89 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.552 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -87.45 165.49 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.595 -0.302 . . . . 1.0 110.575 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 28.0 m -87.04 175.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.337 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.44 30.88 6.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 1.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -70.37 -153.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 1.0 109.58 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.4 mt -47.93 -28.87 2.93 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.163 0.506 . . . . 1.0 110.216 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.642 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.04 167.64 21.6 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.527 -0.761 . . . . 1.0 110.215 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.87 52.8 2.38 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 177.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.76 155.76 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.946 -1.025 . . . . 1.0 111.494 -179.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.71 163.54 0.93 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 1.0 110.626 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.317 -0.818 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.05 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.5 t0 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.609 0.242 . . . . 1.0 110.804 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 8.1 p 42.32 -178.18 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.955 -0.566 . . . . 1.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.34 168.79 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.384 0 CA-C-N 116.074 -0.512 . . . . 1.0 114.02 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 1.8 mtpt -123.76 -178.44 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.97 113.51 7.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.539 0.209 . . . . 1.0 111.397 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.7 m-85 75.46 -6.9 1.89 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.933 0.345 . . . . 1.0 111.933 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.1 m -70.86 67.8 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.756 0.312 . . . . 1.0 111.656 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.55 -144.08 0.01 OUTLIER Glycine 0 N--CA 1.461 0.317 0 CA-C-N 115.573 -0.74 . . . . 1.0 113.797 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -137.49 97.68 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.864 0.364 . . . . 1.0 110.901 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.24 177.9 3.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.518 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -70.26 -81.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.413 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.549 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.1 t-20 -69.76 -59.21 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.683 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.659 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.1 29.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.426 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.5 t70 -54.93 53.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.922 0.889 . . . . 1.0 112.665 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' ALA . 86.7 m 57.86 115.3 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.562 -0.744 . . . . 1.0 112.544 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -48.93 167.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.751 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -70.5 62.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.42 -68.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.58 -0.819 . . . . 1.0 111.786 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.5 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -78.55 174.09 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.374 -0.232 . . . . 1.0 110.374 179.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -91.54 170.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 111.58 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 t -108.95 30.83 6.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -70.33 -158.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.91 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 3.9 mp -46.63 -29.25 1.76 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.029 0.442 . . . . 1.0 110.473 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.716 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -137.25 171.1 14.99 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.798 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.668 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.8 t -88.71 55.07 3.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.597 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.46 147.74 43.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.317 -1.311 . . . . 1.0 111.928 -178.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -70.04 162.82 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 1.0 110.903 178.431 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.026 -0.988 . . . . 1.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.2 t0 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.589 0.233 . . . . 1.0 110.807 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.69 165.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.5 168.87 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.369 0 CA-C-N 115.658 -0.701 . . . . 1.0 113.902 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.0 mtpt -141.93 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.814 0.34 . . . . 1.0 110.77 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.52 97.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.868 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.82 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 11.1 m-85 74.04 1.57 3.93 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 1.0 111.95 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -70.78 68.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0 111.306 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.2 -145.88 0.01 OUTLIER Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.455 -0.793 . . . . 1.0 113.504 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.72 87.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.852 0.358 . . . . 1.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.02 -177.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.204 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.214 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.526 ' C ' ' H ' ' A' ' 15' ' ' ASP . 4.6 t-20 -57.49 -53.64 55.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.19 28.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.691 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -54.91 54.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.952 0.901 . . . . 1.0 112.493 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.31 119.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.397 -0.819 . . . . 1.0 112.274 178.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.09 171.65 0.69 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.749 -1.114 . . . . 1.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.96 58.74 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.188 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.33 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.494 -0.86 . . . . 1.0 111.843 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.43 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.357 . . . . 1.0 110.854 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.426 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 30.1 m -72.56 -179.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.278 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.9 t -128.19 28.82 5.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 1.0 111.756 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' CD ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.4 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.903 178.812 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mp -53.42 -26.26 19.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.019 0.438 . . . . 1.0 110.394 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.82 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -146.07 173.49 12.14 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.464 0.65 . . . . 1.0 110.899 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -90.45 60.07 4.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.328 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.27 146.29 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.691 -1.14 . . . . 1.0 111.506 -178.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -70.05 162.54 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 1.0 110.881 178.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.318 -0.785 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.3 t0 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.543 0.211 . . . . 1.0 110.789 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.3 p 42.29 -177.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.016 -0.538 . . . . 1.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -48.37 175.08 0.02 OUTLIER Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.846 -0.615 . . . . 1.0 113.59 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -136.37 172.24 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.716 0.293 . . . . 1.0 110.767 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.424 HD22 ' CE2' ' A' ' 20' ' ' TYR . 3.5 mm? -60.84 119.41 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.252 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.703 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.2 m-85 72.34 -4.1 2.12 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -71.0 69.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 1.0 111.575 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.41 -144.1 0.01 OUTLIER Glycine 0 N--CA 1.46 0.249 0 CA-C-N 115.627 -0.715 . . . . 1.0 113.58 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.22 91.86 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.804 0.335 . . . . 1.0 110.927 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.09 -176.22 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.338 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -95.69 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.729 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.5 t30 -70.01 -67.19 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.311 . . . . 1.0 111.38 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.74 25.83 0.04 OUTLIER 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.689 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 13' ' ' ASN . 13.2 t0 -38.51 -44.42 0.94 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.352 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 170.92 121.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.526 0.679 . . . . 1.0 111.507 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.2 m -48.45 167.15 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.809 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.06 105.46 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.145 0.497 . . . . 1.0 111.848 -179.479 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.49 -56.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.687 -0.565 . . . . 1.0 111.687 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.448 ' CE1' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -98.66 161.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.538 -0.331 . . . . 1.0 110.875 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.32 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.496 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.8 t -110.5 30.33 6.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 1.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -158.24 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.011 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 7.1 mt -43.43 -31.42 0.68 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.195 0.521 . . . . 1.0 110.34 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.703 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.04 172.14 13.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.41 178.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 m -89.5 57.7 4.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.947 -1.024 . . . . 1.0 108.786 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.57 148.3 45.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.488 -178.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -64.44 161.87 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.473 0.654 . . . . 1.0 111.15 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 115.109 -0.951 . . . . 1.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.0 t70 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.551 0.215 . . . . 1.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.22 162.85 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.815 0.672 . . . . 1.0 112.815 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.83 169.66 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.632 -0.713 . . . . 1.0 113.97 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.3 mtpt -140.19 169.84 16.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.649 0.262 . . . . 1.0 110.554 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mt -43.29 98.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.817 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 75.15 -1.01 3.17 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.42 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -70.81 69.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 1.0 111.488 -179.821 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.13 -145.8 0.01 OUTLIER Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.756 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.62 93.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 1.0 110.728 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.09 -175.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.41 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -67.97 -78.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.166 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 15' ' ' ASP . 22.3 t30 -70.07 -51.9 28.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.749 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.18 27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.843 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.9 t0 -57.58 55.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.595 0.758 . . . . 1.0 112.254 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.574 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 66.5 120.81 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.411 -0.813 . . . . 1.0 112.17 178.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 173.8 0.6 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.764 -1.107 . . . . 1.0 110.883 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.85 52.89 0.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.791 -0.641 . . . . 1.0 112.433 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.53 -68.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.75 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.421 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -82.13 157.53 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.35 . . . . 1.0 110.761 179.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.9 171.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.409 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 t -112.0 31.45 6.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.055 0.455 . . . . 1.0 111.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.27 -154.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.63 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.89 -30.23 1.66 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.149 0.5 . . . . 1.0 110.304 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.817 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.73 172.9 12.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.439 178.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.13 61.12 5.67 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 177.014 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -71.88 143.57 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.357 -1.292 . . . . 1.0 111.632 -178.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -70.07 163.18 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.783 178.736 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 3' ' ' CYS . 35.1 t0 . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.618 0.246 . . . . 1.0 110.814 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.2 p 42.37 -179.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.407 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.96 170.59 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.873 -0.603 . . . . 1.0 113.527 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.4 mtpt -141.16 168.63 19.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 1.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -48.33 107.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 1.0 111.693 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.8 m-85 73.19 -1.51 3.03 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -71.04 70.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 1.0 111.496 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.08 -143.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 CA-C-N 115.702 -0.681 . . . . 1.0 113.414 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.28 81.73 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.91 0.386 . . . . 1.0 110.756 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -70.06 175.98 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.516 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.438 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 15' ' ' ASP . 35.4 t30 -54.79 -57.57 11.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.785 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.642 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.45 32.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.116 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 t70 -39.33 -4.78 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.472 1.286 . . . . 1.0 114.472 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.642 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 92.76 102.81 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.884 0.849 . . . . 1.0 111.497 179.021 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -45.97 166.73 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.081 -1.418 . . . . 1.0 111.388 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.26 114.33 8.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.937 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.8 -51.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.412 -0.675 . . . . 1.0 111.412 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -105.94 154.16 20.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.822 179.653 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 34.7 m -70.62 -177.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.332 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 t -133.07 26.67 4.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.186 0.517 . . . . 1.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HD3' ' CG2' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -70.54 -136.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.066 179.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.01 -25.41 29.98 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.93 0.395 . . . . 1.0 110.419 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -147.18 174.04 11.97 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.604 0.716 . . . . 1.0 111.153 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -91.11 59.09 3.91 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.568 -1.196 . . . . 1.0 108.252 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.97 145.28 48.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.655 -1.157 . . . . 1.0 111.882 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.25 160.95 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.531 0.681 . . . . 1.0 110.933 178.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.318 -0.8 0 CA-C-N 115.144 -0.935 . . . . 1.0 110.802 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.5 t70 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.6 0.238 . . . . 1.0 110.794 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.2 p 44.09 172.08 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.13 170.78 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.963 -0.562 . . . . 1.0 114.006 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 13.1 mtpp -142.02 172.58 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.627 -0.287 . . . . 1.0 110.502 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.23 104.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.616 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.823 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 33.8 m-85 71.7 1.49 3.9 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.077 0.399 . . . . 1.0 112.077 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -70.88 68.52 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.944 0.402 . . . . 1.0 111.353 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.42 -145.78 0.01 OUTLIER Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.665 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -146.25 85.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.87 0.367 . . . . 1.0 110.931 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -70.06 176.4 3.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.275 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.4 t30 -56.32 -50.88 70.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.668 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.32 30.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.413 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.1 t0 -50.02 54.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.299 1.039 . . . . 1.0 112.984 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER 56.39 122.59 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.32 -0.855 . . . . 1.0 112.783 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 16.4 m -51.59 161.26 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.845 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.55 58.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -67.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.704 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.89 154.73 25.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 179.435 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.13 -174.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.088 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.57 29.5 3.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.916 0.389 . . . . 1.0 111.64 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.936 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 2.3 mp -50.66 -31.52 16.52 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.171 0.51 . . . . 1.0 110.114 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.823 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.36 172.37 13.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.309 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -84.0 63.96 7.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.143 -1.058 . . . . 1.0 108.143 177.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HD3' ' CD1' ' A' ' 25' ' ' TRP . 4.7 tptt -71.61 146.35 48.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.64 -1.164 . . . . 1.0 112.29 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.31 159.2 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.276 0.56 . . . . 1.0 110.352 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 1.0 111.063 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 3' ' ' CYS . 21.8 t0 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.521 0.2 . . . . 1.0 110.81 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.56 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p 44.54 165.07 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.13 167.12 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.38 0 CA-C-N 115.405 -0.816 . . . . 1.0 113.995 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 6.7 mtpt -140.79 174.96 10.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 1.0 110.716 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' CD2' ' CD1' ' A' ' 28' ' ' LEU . 4.1 mm? -46.24 96.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.524 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.8 m-85 74.14 4.4 4.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.962 0.356 . . . . 1.0 111.962 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.7 69.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.42 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.389 -0.823 . . . . 1.0 113.621 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 84.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.09 -171.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.316 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -82.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.248 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.4 t-20 -66.16 -65.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.87 22.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 1.0 112.047 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 13' ' ' ASN . 32.1 t70 -38.71 -52.89 1.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.806 0.299 . . . . 1.0 111.806 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 178.41 120.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.373 0.606 . . . . 1.0 111.016 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 170.71 0.52 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.096 -0.956 . . . . 1.0 111.531 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -70.68 59.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.507 -0.769 . . . . 1.0 112.22 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.17 -67.05 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.534 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.42 157.77 21.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.879 0.371 . . . . 1.0 110.82 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -80.4 -179.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.2 t -117.58 33.92 5.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.953 0.406 . . . . 1.0 111.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -70.1 -153.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.523 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 5.1 mt -47.42 -29.27 2.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.172 0.51 . . . . 1.0 110.219 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.867 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.48 171.12 14.57 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.361 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -83.12 64.02 7.45 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 107.446 -1.316 . . . . 1.0 107.446 176.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 136.97 48.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 1.0 112.481 -177.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.22 160.74 31.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.307 178.433 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.281 -0.872 . . . . 1.0 110.777 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 3' ' ' CYS . 18.2 t70 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.57 0.224 . . . . 1.0 110.797 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.09 170.75 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.623 0.601 . . . . 1.0 112.623 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -47.93 169.37 0.08 OUTLIER Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 115.955 -0.566 . . . . 1.0 113.739 -178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.762 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.2 mtpt -127.99 164.43 22.36 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 7' ' ' PHE . 1.5 mt -42.62 105.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.734 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.3 m-85 72.73 -3.36 2.4 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.4 m -70.54 72.25 0.5 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.754 0.311 . . . . 1.0 111.742 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.27 -145.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.69 -0.687 . . . . 1.0 113.816 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.49 93.73 2.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 1.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.11 175.3 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.0 p -67.24 -94.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.3 t-20 -57.26 -45.54 83.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.993 0.425 . . . . 1.0 110.476 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.738 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.38 29.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.502 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 m-20 -48.59 57.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.214 1.006 . . . . 1.0 112.637 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.738 ' N ' ' O ' ' A' ' 14' ' ' ALA . 3.7 m 58.63 126.87 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.045 -0.98 . . . . 1.0 112.467 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 57.9 m -51.4 167.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.152 -0.931 . . . . 1.0 111.283 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 9.58 0.74 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.64 -64.59 0.73 Allowed Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.192 -1.004 . . . . 1.0 111.934 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -81.33 167.13 19.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.577 0.227 . . . . 1.0 110.6 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.48 -167.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.282 . . . . 1.0 110.955 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.8 31.31 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.424 . . . . 1.0 111.242 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -70.38 -146.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.501 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.8 -26.47 5.74 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 121.102 0.477 . . . . 1.0 110.247 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.734 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.49 172.68 12.63 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.786 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.762 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -87.65 55.21 3.4 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.822 -1.177 . . . . 1.0 107.822 176.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -73.03 148.19 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.446 -1.252 . . . . 1.0 111.58 -178.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -55.15 155.85 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.689 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.424 -0.807 . . . . 1.0 111.285 -179.605 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 3' ' ' CYS . 36.0 t0 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.53 0.205 . . . . 1.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.553 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.7 165.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.774 0.657 . . . . 1.0 112.774 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.65 169.01 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.647 -0.706 . . . . 1.0 113.841 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 28.7 mtpt -141.71 171.16 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 1.0 110.89 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -44.63 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.828 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.835 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.56 0.55 3.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.892 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -70.74 69.29 0.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.894 0.378 . . . . 1.0 111.331 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.89 -145.59 0.01 OUTLIER Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.492 -0.776 . . . . 1.0 113.561 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.45 86.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.835 0.35 . . . . 1.0 110.8 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.0 -176.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.273 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 15' ' ' ASP . 34.3 t30 -56.49 -53.74 53.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.13 28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.669 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.519 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -54.89 54.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.97 0.908 . . . . 1.0 112.489 -179.089 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.28 119.0 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 1.0 112.203 178.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 171.77 0.6 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.912 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.84 55.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.78 -0.645 . . . . 1.0 112.439 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.4 -0.905 . . . . 1.0 111.825 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -83.2 156.14 23.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 1.0 110.891 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 27.1 m -72.35 -179.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.264 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.4 t -127.93 29.07 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.992 0.425 . . . . 1.0 111.76 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' CD ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.35 -139.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.773 178.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.95 -25.78 22.29 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.006 0.432 . . . . 1.0 110.361 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.835 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.48 174.11 11.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.514 0.673 . . . . 1.0 110.898 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.04 60.07 4.22 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.908 -1.145 . . . . 1.0 107.908 177.043 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.97 145.71 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.51 -1.223 . . . . 1.0 111.6 -178.422 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -70.11 160.44 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 1.0 110.896 178.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.142 -0.936 . . . . 1.0 110.747 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.1 t70 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.571 0.224 . . . . 1.0 110.841 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 2' ' ' ASP . 13.4 p 42.36 -179.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.337 0.589 . . . . 1.0 112.375 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -51.6 173.69 0.17 Allowed Glycine 0 N--CA 1.43 -1.71 0 CA-C-N 115.78 -0.646 . . . . 1.0 113.527 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -130.2 169.39 15.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.595 0.236 . . . . 1.0 110.696 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.57 118.87 7.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.49 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.5 m-85 72.88 -7.48 1.46 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.9 m -71.12 67.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 1.0 111.664 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.54 -143.37 0.01 OUTLIER Glycine 0 N--CA 1.461 0.315 0 CA-C-N 115.594 -0.73 . . . . 1.0 113.716 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -136.75 88.76 2.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.944 0.402 . . . . 1.0 110.733 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -70.18 -159.91 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.595 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -57.63 -158.16 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.12 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -41.28 -42.65 2.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.982 0.42 . . . . 1.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -71.43 27.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.282 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 13' ' ' ASN . 2.4 m-20 -38.46 -43.37 0.83 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.452 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER 172.14 124.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.0 111.866 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -48.66 170.59 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.03 -0.987 . . . . 1.0 110.765 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -70.17 106.95 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.0 111.9 -179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.85 -55.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.661 -0.575 . . . . 1.0 111.661 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -102.37 171.55 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.372 . . . . 1.0 110.892 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 m -96.39 174.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.583 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.0 t -106.8 30.96 5.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.293 0.568 . . . . 1.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.09 -160.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.608 -0.723 . . . . 1.0 110.176 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.9 mt -43.93 -31.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.201 0.524 . . . . 1.0 110.28 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.55 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.01 166.97 22.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.033 178.74 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -84.95 52.58 2.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.647 -0.706 . . . . 1.0 109.168 177.699 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.02 156.66 38.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.522 -179.249 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.0 mp -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.211 0.529 . . . . 1.0 110.386 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.065 -0.97 . . . . 1.0 111.371 -179.548 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' CYS . 20.7 t0 . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.565 0.221 . . . . 1.0 110.817 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.3 p 42.27 -178.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.942 -0.572 . . . . 1.0 112.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -49.37 173.11 0.06 OUTLIER Glycine 0 N--CA 1.431 -1.665 0 CA-C-N 115.764 -0.653 . . . . 1.0 113.553 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 4.1 mtpt -131.48 173.22 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.921 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 20' ' ' TYR . 1.9 mm? -62.13 121.2 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.366 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.778 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.7 m-85 71.51 -4.44 1.86 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 111.965 0.357 . . . . 1.0 111.965 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLY . 2.1 m -70.8 69.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 1.0 111.54 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.55 -144.79 0.01 OUTLIER Glycine 0 N--CA 1.461 0.314 0 CA-C-N 115.58 -0.736 . . . . 1.0 113.66 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.89 91.79 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.831 0.348 . . . . 1.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.07 -173.71 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.62 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -70.59 -103.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.647 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.543 ' C ' ' H ' ' A' ' 15' ' ' ASP . 32.3 t30 -68.46 -65.29 0.72 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.731 0.301 . . . . 1.0 111.172 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.66 24.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 13' ' ' ASN . 11.5 t0 -38.82 -44.93 1.09 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 173.9 121.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.41 0.624 . . . . 1.0 111.475 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -46.6 166.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.941 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.08 102.39 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 1.0 111.81 -179.493 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.79 -57.89 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.789 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -94.21 167.94 11.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 1.0 111.004 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.0 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.03 31.5 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 1.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -70.26 -154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.785 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -47.4 -28.87 2.28 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.034 0.445 . . . . 1.0 110.381 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.778 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.63 173.89 11.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.558 0.694 . . . . 1.0 110.882 179.294 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -88.79 55.61 3.43 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.671 -1.15 . . . . 1.0 108.378 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -72.87 144.23 47.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.968 -1.014 . . . . 1.0 111.579 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -62.97 158.01 20.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.292 0.568 . . . . 1.0 110.826 178.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.377 -0.829 . . . . 1.0 111.063 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.545 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.6 t0 . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.573 0.225 . . . . 1.0 110.853 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.545 ' O ' ' O ' ' A' ' 2' ' ' ASP . 4.2 p 44.1 168.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.81 0.67 . . . . 1.0 112.81 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.81 168.08 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.877 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 4.1 mtpp -141.42 173.08 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.861 0.362 . . . . 1.0 110.748 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.08 96.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.714 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER 74.39 3.52 4.33 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.818 179.363 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.59 69.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.51 -145.59 0.01 OUTLIER Glycine 0 N--CA 1.459 0.2 0 CA-C-N 115.386 -0.825 . . . . 1.0 113.538 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.34 85.81 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.833 0.349 . . . . 1.0 110.912 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -70.1 -172.15 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.207 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -87.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.7 t-20 -62.07 -62.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.87 22.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.979 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 13' ' ' ASN . 26.2 t70 -38.41 -57.18 1.16 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 122.471 0.309 . . . . 1.0 111.759 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.72 119.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.46 0.648 . . . . 1.0 111.475 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.11 169.07 0.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.006 -0.997 . . . . 1.0 111.285 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.82 59.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 1.0 112.267 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.6 -67.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.541 -0.838 . . . . 1.0 111.737 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -84.49 158.25 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.815 0.34 . . . . 1.0 110.799 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.36 -176.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.1 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.3 t -136.54 27.92 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 1.0 111.334 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -114.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.112 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.68 -30.49 67.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.164 0.507 . . . . 1.0 109.997 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.877 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.29 175.22 10.26 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.768 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -92.94 53.95 2.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.887 -1.051 . . . . 1.0 108.27 177.002 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 1.7 tttt -72.96 147.89 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.245 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.56 156.26 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.222 0.535 . . . . 1.0 110.674 178.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.213 -179.599 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 3' ' ' CYS . 14.0 p-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.563 0.221 . . . . 1.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.9 p 44.37 169.58 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.635 0.605 . . . . 1.0 112.635 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 167.44 0.39 Allowed Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 121.139 -0.553 . . . . 1.0 113.859 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.723 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.0 mtpt -129.37 165.04 22.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.561 -0.32 . . . . 1.0 110.555 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 1.4 mm? -41.32 111.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.358 0.503 . . . . 1.0 112.358 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.84 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.9 m-85 68.27 -6.32 0.79 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.667 0.618 . . . . 1.0 112.667 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 3.3 m -70.91 73.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 1.0 111.633 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.17 -146.46 0.01 OUTLIER Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.923 -0.581 . . . . 1.0 113.596 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -156.38 89.89 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.806 0.336 . . . . 1.0 110.852 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.05 -177.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.199 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -86.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.101 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' A' ' 15' ' ' ASP . 26.0 t30 -55.21 -56.54 18.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 30.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -53.12 55.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.055 0.942 . . . . 1.0 112.457 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.5 m 59.5 122.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.199 -0.909 . . . . 1.0 112.265 178.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 27.1 m -46.16 162.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.139 -0.937 . . . . 1.0 111.014 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.5 59.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.27 -66.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.658 -0.782 . . . . 1.0 111.775 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.78 160.53 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.694 0.283 . . . . 1.0 110.513 179.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 m -78.6 170.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.02 30.46 6.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.533 . . . . 1.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -70.31 -156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.856 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -47.13 -28.84 1.95 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.84 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.88 173.91 11.07 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.569 0.699 . . . . 1.0 110.975 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.723 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -88.54 58.47 4.7 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.597 -1.183 . . . . 1.0 108.151 176.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.85 142.43 47.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.663 -1.153 . . . . 1.0 111.277 -178.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -61.41 157.36 17.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.378 0.609 . . . . 1.0 110.681 178.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.333 -0.849 . . . . 1.0 111.034 -179.739 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' CYS . 19.4 t70 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.588 0.232 . . . . 1.0 110.803 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 25.6 p 42.16 -174.55 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 112.204 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -40.57 171.3 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.748 -0.66 . . . . 1.0 114.229 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 16.7 mtpt -141.26 -169.75 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.317 -0.253 . . . . 1.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' CD2' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mt -70.63 103.34 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.764 -0.198 . . . . 1.0 111.231 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.805 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.1 m-85 74.36 2.9 4.23 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 111.922 0.342 . . . . 1.0 111.922 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -70.46 69.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 1.0 111.405 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.72 -147.41 0.01 OUTLIER Glycine 0 N--CA 1.461 0.339 0 CA-C-N 115.447 -0.797 . . . . 1.0 113.645 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 32.4 m -138.21 94.06 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.849 0.357 . . . . 1.0 110.724 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 5.5 m-20 -70.14 -177.22 1.33 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.607 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -95.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.982 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.0 t30 -69.49 -67.66 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.795 0.331 . . . . 1.0 111.277 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.59 24.93 0.04 OUTLIER 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.431 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' A' ' 13' ' ' ASN . 34.5 t0 -38.41 -70.68 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.707 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 95.9 m -157.05 115.59 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.045 0.45 . . . . 1.0 111.415 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.4 m -52.52 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.793 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.13 86.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.7 -62.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.875 -0.679 . . . . 1.0 111.838 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.56 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -93.02 171.09 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.29 . . . . 1.0 110.869 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.28 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.65 29.47 4.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 1.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.55 -118.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.15 -24.33 63.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.037 0.446 . . . . 1.0 110.282 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.805 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -149.29 174.46 12.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.555 0.693 . . . . 1.0 110.958 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 11.6 t -90.8 50.23 1.77 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.819 -1.178 . . . . 1.0 107.819 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -72.59 145.69 47.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.034 -1.439 . . . . 1.0 112.095 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 7.2 mp -63.31 157.78 22.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 1.0 110.692 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.349 -0.841 . . . . 1.0 110.935 -179.791 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.2 t70 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.638 0.256 . . . . 1.0 110.833 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 16.2 p 42.49 -178.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.951 -0.568 . . . . 1.0 112.41 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -41.83 169.57 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 114.002 -178.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 31.3 mtpt -141.75 -170.46 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.31 102.18 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.158 -0.217 . . . . 1.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.71 2.98 4.17 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 m -70.45 70.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 1.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.84 -145.97 0.01 OUTLIER Glycine 0 N--CA 1.459 0.217 0 CA-C-N 115.409 -0.814 . . . . 1.0 113.537 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -142.64 96.61 2.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 1.0 111.117 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.11 -177.52 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.241 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -95.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.42 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -69.71 -64.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 111.065 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 23.09 0.04 OUTLIER 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.816 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.1 t0 -38.79 -65.6 0.35 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.64 -179.485 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 84.6 m -155.6 117.34 4.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.027 0.441 . . . . 1.0 111.499 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.99 174.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.992 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -70.31 61.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 1.0 112.039 -179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.85 -67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 1.0 111.669 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -88.86 162.05 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.64 0.257 . . . . 1.0 110.589 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -166.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.05 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -136.29 28.53 3.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.145 0.498 . . . . 1.0 111.282 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -70.42 -140.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.637 . . . . 1.0 109.741 178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.03 -26.78 11.61 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 1.0 110.15 178.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.37 175.04 10.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.626 0.727 . . . . 1.0 110.749 179.372 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.667 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.9 t -95.43 54.96 1.66 Allowed 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.61 -1.177 . . . . 1.0 108.216 177.372 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -73.01 147.67 44.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.96 -1.473 . . . . 1.0 111.883 -178.666 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -62.06 157.06 19.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 1.0 110.712 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.952 -179.887 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.84 0.352 . . . . 1.0 110.845 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 2.6 p -53.92 169.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.591 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.6 167.81 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 115.666 -0.697 . . . . 1.0 114.256 -178.751 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 18.2 mtpt -140.97 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.504 -0.348 . . . . 1.0 110.424 179.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -44.82 96.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.677 -179.803 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.5 m-85 75.46 1.43 3.63 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 111.957 0.354 . . . . 1.0 111.957 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.77 71.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 1.0 111.565 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.57 -146.78 0.01 OUTLIER Glycine 0 N--CA 1.46 0.268 0 CA-C-N 115.689 -0.687 . . . . 1.0 113.751 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.16 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 1.0 110.768 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.08 -169.03 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.407 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.7 t-20 -64.76 -61.3 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.97 24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.837 179.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 13' ' ' ASN . 8.6 t0 -38.63 -55.72 1.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -176.52 123.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.355 0.598 . . . . 1.0 112.227 -179.862 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 23.4 m -49.7 159.8 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.07 -0.968 . . . . 1.0 110.947 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pm0 -70.58 58.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.959 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.0 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.7 -0.762 . . . . 1.0 111.652 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.476 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.83 172.24 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.706 0.289 . . . . 1.0 110.655 179.35 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.99 176.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.177 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -116.73 30.84 7.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 1.0 111.226 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -70.33 -151.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.605 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -48.27 -28.59 3.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.124 0.488 . . . . 1.0 110.211 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.09 172.94 12.1 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.569 179.235 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -92.07 53.81 2.25 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.76 -1.2 . . . . 1.0 107.76 176.614 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.52 146.37 46.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.596 -1.184 . . . . 1.0 111.665 -178.532 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 1.1 mp -59.84 157.83 11.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.539 . . . . 1.0 110.759 178.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.398 -0.819 . . . . 1.0 111.009 -179.821 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.845 0.355 . . . . 1.0 110.826 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.297 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.52 167.49 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 115.719 -0.673 . . . . 1.0 114.143 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.6 mtmm -140.75 169.24 18.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.822 0.344 . . . . 1.0 110.777 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' A' ' 28' ' ' LEU . 4.5 mm? -45.39 104.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.894 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.9 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 8.2 m-85 70.05 4.04 4.63 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 69.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.38 -147.29 0.01 OUTLIER Glycine 0 CA--C 1.517 0.204 0 CA-C-N 115.366 -0.834 . . . . 1.0 113.621 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.1 78.26 1.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 1.0 110.594 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-20 -55.78 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.388 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.251 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 15' ' ' ASP . 23.4 t30 -70.15 -57.44 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 1.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.73 20.62 0.04 OUTLIER 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.89 -48.52 1.57 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.828 0.347 . . . . 1.0 111.141 -179.713 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 122.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 1.0 111.453 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.44 168.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.375 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.1 64.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.0 -65.0 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.363 -0.922 . . . . 1.0 112.864 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.705 ' N ' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -87.02 -175.21 5.26 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 120.725 0.297 . . . . 1.0 110.914 -179.075 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -164.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -145.65 29.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.22 0.533 . . . . 1.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.76 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.056 179.278 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 3.5 mt -70.58 -21.11 62.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.98 0.419 . . . . 1.0 110.317 178.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.9 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -155.91 175.32 14.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.5 0.667 . . . . 1.0 111.159 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.85 68.33 7.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 176.359 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.4 107.11 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.86 -1.518 . . . . 1.0 111.95 -177.913 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -50.08 162.03 0.23 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.491 . . . . 1.0 110.753 179.464 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.739 -179.991 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.7 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.553 0.216 . . . . 1.0 111.035 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 6.2 p 43.64 172.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.695 0.628 . . . . 1.0 112.695 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.82 168.49 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 115.475 -0.784 . . . . 1.0 113.784 -178.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.5 mtpt -141.05 169.82 16.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.928 0.394 . . . . 1.0 111.056 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.03 100.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.905 -179.817 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 71.74 3.4 4.65 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.065 0.395 . . . . 1.0 112.065 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.65 67.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.996 0.427 . . . . 1.0 111.324 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 29.11 -146.62 0.01 OUTLIER Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.297 -0.865 . . . . 1.0 114.004 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.02 74.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 1.0 110.457 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.03 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.669 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 p -62.11 -142.27 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 15' ' ' ASP . 31.2 t30 -42.52 -40.09 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.987 0.422 . . . . 1.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.98 23.62 0.04 OUTLIER 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.625 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 13' ' ' ASN . 7.1 m-20 -38.69 -50.24 1.62 Allowed 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 122.73 0.412 . . . . 1.0 111.781 -179.022 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.03 122.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 1.0 111.78 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.17 169.77 0.16 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.966 -1.016 . . . . 1.0 111.329 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 60.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.379 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.23 -67.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.789 . . . . 1.0 111.551 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.533 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -90.19 153.17 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.788 0.328 . . . . 1.0 110.737 179.296 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 34.3 m -73.43 -170.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 29.6 1.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 1.0 111.554 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -122.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.559 178.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.36 -23.37 62.48 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.143 0.497 . . . . 1.0 109.821 178.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.764 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -156.65 171.92 19.5 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.427 179.441 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -88.8 60.71 5.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 177.195 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.93 149.24 43.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.302 -1.317 . . . . 1.0 111.723 -178.819 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -70.22 162.6 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.528 0.68 . . . . 1.0 110.984 178.491 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.963 . . . . 1.0 110.741 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.802 0.334 . . . . 1.0 110.784 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.91 179.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.311 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -50.9 171.61 0.18 Allowed Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.896 -0.593 . . . . 1.0 113.665 -179.002 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -121.93 175.04 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 1.0 110.889 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 20' ' ' TYR . 1.4 mm? -64.99 124.2 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.327 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.793 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.0 m-85 71.8 -7.19 1.3 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.3 m -70.82 70.45 0.48 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.694 0.283 . . . . 1.0 111.676 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 28.13 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.462 0.384 0 CA-C-N 115.753 -0.658 . . . . 1.0 113.578 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 m -134.1 96.77 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.865 0.364 . . . . 1.0 110.705 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.08 170.64 11.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.626 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.628 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.6 t-20 -70.19 -65.82 0.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.237 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.04 31.87 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.369 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 t0 -54.03 55.17 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.896 0.879 . . . . 1.0 112.082 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.1 m 60.59 123.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.123 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m -44.27 165.04 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.801 -1.09 . . . . 1.0 111.246 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.8 pt-20 -70.47 72.71 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 1.0 112.106 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.82 -67.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.622 -0.799 . . . . 1.0 111.804 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -77.69 165.15 24.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.686 0.279 . . . . 1.0 110.507 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -84.91 170.52 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.333 . . . . 1.0 111.308 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -106.68 31.21 5.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.262 0.553 . . . . 1.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -160.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.238 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -44.29 -30.2 0.78 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.105 0.478 . . . . 1.0 110.54 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.793 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.75 174.35 10.62 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.609 0.719 . . . . 1.0 110.903 179.135 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -86.78 58.42 5.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.561 -1.2 . . . . 1.0 108.505 176.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -73.01 140.95 47.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.303 -179.04 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -61.02 158.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.367 0.603 . . . . 1.0 110.995 178.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.252 -0.886 . . . . 1.0 111.055 -179.789 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.2 t0 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.591 0.234 . . . . 2.2200000000000002 110.835 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.9 p 44.45 166.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.783 0.661 . . . . 0.98999999999999999 112.783 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.51 168.67 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.424 0 CA-C-N 115.457 -0.792 . . . . 0.57999999999999996 113.857 -178.782 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 22.5 mtpt -140.15 171.11 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.924 0.392 . . . . 2.6800000000000002 110.93 179.481 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.91 100.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 2.0600000000000001 111.516 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.868 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 75.89 1.87 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.362 -0.381 . . . . 1.49 111.967 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 69.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.946 0.403 . . . . 0.98999999999999999 111.308 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.92 -146.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.395 -0.821 . . . . 0.42999999999999999 113.87 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.09 88.01 1.78 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.89000000000000001 110.663 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.04 -177.71 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 1.4399999999999999 111.467 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.066 -0.516 . . . . 1.6599999999999999 111.331 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 15' ' ' ASP . 12.6 t-20 -67.84 -65.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 2.4100000000000001 110.769 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.84 23.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 1.26 111.738 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 13' ' ' ASN . 42.3 t0 -38.86 -54.53 1.62 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.152 0.427 . . . . 2.1400000000000001 112.152 -179.071 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -174.77 122.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.362 0.601 . . . . 1.1299999999999999 111.64 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 170.3 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.103 -0.953 . . . . 1.1899999999999999 111.309 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -70.9 59.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.536 -0.756 . . . . 1.98 112.244 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.65 -67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.57 -0.824 . . . . 0.80000000000000004 111.668 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -85.18 158.01 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.823 0.344 . . . . 2.0099999999999998 110.743 179.471 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.8 m -78.72 -177.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 1.1200000000000001 111.204 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.8 t -124.87 31.07 5.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.218 0.532 . . . . 0.81000000000000005 111.06 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -70.35 -144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.781 -0.645 . . . . 3.9199999999999999 109.505 178.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.95 -26.81 6.43 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.185 0.517 . . . . 1.1100000000000001 110.149 178.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.868 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.568 -0.742 . . . . 1.1100000000000001 110.705 179.416 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.95 57.8 3.23 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.785 -1.191 . . . . 0.76000000000000001 107.785 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.16 144.39 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.471 -1.24 . . . . 2.3799999999999999 111.53 -178.485 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -59.42 158.06 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.339 0.59 . . . . 1.6599999999999999 110.914 179.013 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.363 -0.835 . . . . 1.23 111.032 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.857 0.361 . . . . 1.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' CYS . 34.9 t0 -65.73 -38.65 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.2 p 41.97 -174.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.026 -0.533 . . . . 1.0 112.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -54.02 170.67 1.04 Allowed Glycine 0 N--CA 1.429 -1.788 0 CA-C-N 116.042 -0.526 . . . . 1.0 113.587 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 176.96 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.802 0.334 . . . . 1.0 110.733 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -67.87 120.16 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.992 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 25.1 m-85 73.36 -1.79 2.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.75 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -71.11 71.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 1.0 111.43 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 33.49 -147.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.748 -0.66 . . . . 1.0 113.354 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.86 80.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 1.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -70.1 160.06 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.238 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -79.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.268 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 15' ' ' ASP . 27.0 t30 -64.13 -50.15 69.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.977 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -70.77 14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.532 0.567 . . . . 1.0 112.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' CYS . 35.5 t70 -39.15 66.92 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 123.871 0.868 . . . . 1.0 111.603 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.843 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.7 m 6.96 116.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.676 -1.602 . . . . 1.0 113.323 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -39.71 162.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.892 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.21 120.78 11.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.856 -0.611 . . . . 1.0 112.055 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.15 -53.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.76 178.26 4.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.219 -0.49 . . . . 1.0 110.383 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 27.2 m -98.14 -176.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.651 0.262 . . . . 1.0 111.302 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.52 30.28 7.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.194 0.521 . . . . 1.0 110.989 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -70.42 -154.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.659 -0.7 . . . . 1.0 109.656 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 25' ' ' TRP . 1.7 mp -47.38 -29.56 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.153 0.501 . . . . 1.0 110.24 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.86 163.99 30.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.076 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -86.19 47.06 1.41 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.654 -0.869 . . . . 1.0 108.654 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.31 163.57 27.9 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.86 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' TRP . 2.2 mp -51.49 163.62 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.294 0.568 . . . . 1.0 110.563 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.86 76.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.219 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.508 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.218 -0.896 . . . . 1.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.668 0.271 . . . . 1.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 3' ' ' CYS . 27.9 t70 -65.8 -72.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.01 172.0 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.566 0.58 . . . . 1.0 112.566 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.28 170.05 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 116.021 -0.536 . . . . 1.0 113.944 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 24.1 mtpt -142.03 173.02 11.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.685 0.279 . . . . 1.0 110.495 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -44.58 98.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.756 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.832 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 9.2 m-85 74.09 1.29 3.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.101 0.408 . . . . 1.0 112.101 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 70.95 0.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 1.0 111.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.58 -147.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.524 -0.762 . . . . 1.0 113.588 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.36 82.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.888 0.375 . . . . 1.0 110.756 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.02 -179.6 1.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.329 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.205 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.5 t30 -54.04 -55.91 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.628 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.23 27.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.535 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.81 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.167 0.987 . . . . 1.0 112.799 -178.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.49 123.96 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.457 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 m -53.0 164.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.833 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.65 57.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.64 -67.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.563 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.4 164.93 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.689 0.281 . . . . 1.0 110.575 179.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -166.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.852 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 t -128.27 33.19 4.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.005 0.431 . . . . 1.0 111.254 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -70.19 -155.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.724 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 5.7 mt -46.46 -29.96 1.97 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.079 0.466 . . . . 1.0 110.296 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.832 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.57 170.61 15.69 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.425 178.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -81.82 64.41 6.51 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.521 -1.289 . . . . 1.0 107.521 176.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HE2' ' CE3' ' A' ' 30' ' ' TRP . 8.2 tttt -71.61 136.46 47.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.249 -1.341 . . . . 1.0 112.516 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -70.0 161.87 29.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.304 178.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.6 74.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.248 -0.887 . . . . 1.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.959 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.848 0.356 . . . . 1.0 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.7 p-10 -56.37 -44.75 80.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 2' ' ' ASP . 13.8 p 42.48 -179.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.429 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.37 170.13 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.46 0 CA-C-N 115.781 -0.645 . . . . 1.0 113.885 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.627 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 8.6 mtmm -139.61 -165.25 1.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.997 -0.371 . . . . 1.0 109.997 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 7' ' ' PHE . 1.7 mt -70.86 95.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.86 -0.155 . . . . 1.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 20.0 m-85 72.61 4.04 4.87 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 111.952 0.352 . . . . 1.0 111.952 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.8 m -70.5 69.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 1.0 111.546 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 29.97 -147.05 0.01 OUTLIER Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.495 -0.775 . . . . 1.0 113.843 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.24 92.66 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 1.0 110.95 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -70.08 -156.34 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.173 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p -57.67 -158.96 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 15' ' ' ASP . 29.7 t30 -40.78 -39.63 1.15 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 1.0 111.163 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -71.21 25.67 0.04 OUTLIER 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.609 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 m-20 -38.86 -60.67 0.82 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.636 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 91.0 m -155.27 119.33 4.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.967 0.413 . . . . 1.0 111.631 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.4 179.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.018 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.36 60.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 1.0 112.161 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.25 -67.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -92.28 165.75 12.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.604 -0.298 . . . . 1.0 110.465 179.288 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 5.8 m -92.73 179.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 1.0 111.389 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -114.45 29.99 7.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.214 0.531 . . . . 1.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -70.46 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 1.0 109.642 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.6 mt -48.34 -29.0 3.5 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.149 0.499 . . . . 1.0 110.222 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.56 168.56 19.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.287 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 8.4 t -89.11 47.51 1.5 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.458 -0.942 . . . . 1.0 108.458 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.21 163.61 27.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.37 -1.286 . . . . 1.0 111.821 -178.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 30' ' ' TRP . 8.0 mp -52.05 163.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.311 0.577 . . . . 1.0 110.477 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -56.62 76.23 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.051 -0.977 . . . . 1.0 111.221 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.517 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.726 0.298 . . . . 1.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.7 t70 -65.87 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 43.9 172.61 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.76 170.65 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.483 0 CA-C-N 116.048 -0.524 . . . . 1.0 113.921 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 3.3 mtpt -139.96 172.49 12.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.687 0.279 . . . . 1.0 110.5 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -46.25 100.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.637 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.825 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.9 m-85 73.78 2.15 4.14 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.7 70.06 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.399 . . . . 1.0 111.407 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.15 -147.22 0.01 OUTLIER Glycine 0 N--CA 1.461 0.3 0 CA-C-N 115.501 -0.772 . . . . 1.0 113.82 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 m -144.45 84.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.32 . . . . 1.0 110.827 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.08 173.67 6.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.246 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -87.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.488 . . . . 1.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.9 t30 -54.76 -54.84 36.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.486 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.71 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 28.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.485 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.46 56.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.183 0.993 . . . . 1.0 112.77 -178.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.86 125.0 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.193 -0.912 . . . . 1.0 112.617 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 19.5 m -54.25 163.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.75 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.64 -0.791 . . . . 1.0 111.635 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.495 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.96 158.43 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.794 0.33 . . . . 1.0 110.679 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 m -78.67 -179.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.83 33.81 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.389 . . . . 1.0 111.267 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -70.14 -149.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.594 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 3.4 mt -48.31 -29.25 3.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.172 0.511 . . . . 1.0 110.133 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.825 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -142.44 171.24 14.32 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.406 178.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -82.59 64.17 7.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 176.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.34 136.74 47.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.303 -1.317 . . . . 1.0 112.537 -177.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.2 161.15 30.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.279 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -62.58 73.68 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.261 -0.876 . . . . 1.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.833 0.349 . . . . 1.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.3 t0 -65.75 -72.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.23 162.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.52 169.29 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.608 -0.724 . . . . 1.0 113.837 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.5 mtpt -140.6 169.5 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.0 110.667 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -43.23 97.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.848 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.6 m-85 75.31 -1.12 3.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.142 0.423 . . . . 1.0 112.142 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.5 m -70.83 70.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 1.0 111.368 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.65 -146.32 0.01 OUTLIER Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.642 -0.708 . . . . 1.0 113.463 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 88.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.837 0.351 . . . . 1.0 110.773 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.06 -175.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -85.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.211 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.2 t-20 -56.91 -54.74 43.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.17 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.696 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.09 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.891 0.876 . . . . 1.0 112.303 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 60.62 120.13 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.335 -0.848 . . . . 1.0 112.04 178.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 172.91 0.68 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.835 -1.075 . . . . 1.0 111.018 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.88 58.01 0.21 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.195 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.42 -67.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.518 -0.849 . . . . 1.0 111.692 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.03 158.55 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.767 0.317 . . . . 1.0 110.718 179.488 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -78.94 172.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.302 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.9 t -113.18 31.04 6.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.031 0.444 . . . . 1.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -70.37 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.773 -0.649 . . . . 1.0 109.656 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -47.74 -28.98 2.75 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.12 0.486 . . . . 1.0 110.224 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.848 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.93 174.33 10.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.663 179.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -92.36 57.8 3.08 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.849 -1.167 . . . . 1.0 107.849 176.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.436 -1.256 . . . . 1.0 111.491 -178.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 4.8 mp -61.08 156.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 1.0 110.658 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -67.69 71.03 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.457 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.237 -0.887 . . . . 1.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.3 t0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.816 0.341 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.0 p-10 -56.51 -44.11 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.079 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.3 p 44.67 163.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.55 0.69 . . . . 1.0 112.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.0 169.48 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.319 -0.855 . . . . 1.0 113.721 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 9.8 mtmm -140.02 170.71 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 1.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.1 mt -43.91 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.971 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 74.86 1.06 3.7 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.145 0.424 . . . . 1.0 112.145 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 2.5 m -70.78 68.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 1.0 111.365 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.64 -146.58 0.01 OUTLIER Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.725 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.58 87.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.917 0.389 . . . . 1.0 110.691 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -70.02 -158.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.176 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 13' ' ' ASN . 4.7 t -61.49 -131.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.866 0.365 . . . . 1.0 111.128 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.501 ' N ' ' OG1' ' A' ' 12' ' ' THR . 25.1 t30 -45.41 -41.03 8.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.723 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -71.09 19.71 0.05 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.824 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.2 m-20 -38.79 -49.49 1.62 Allowed 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.477 0.311 . . . . 1.0 111.797 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -179.53 123.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.363 0.601 . . . . 1.0 111.308 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 171.61 0.82 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 60.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.54 -0.755 . . . . 1.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.39 -66.89 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.552 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -87.45 165.49 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.595 -0.302 . . . . 1.0 110.575 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 28.0 m -87.04 175.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.337 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.44 30.88 6.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 1.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -70.37 -153.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 1.0 109.58 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.4 mt -47.93 -28.87 2.93 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.163 0.506 . . . . 1.0 110.216 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.642 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.04 167.64 21.6 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.527 -0.761 . . . . 1.0 110.215 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.87 52.8 2.38 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 177.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.76 155.76 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.946 -1.025 . . . . 1.0 111.494 -179.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' TRP . 6.1 mp -54.71 163.54 0.93 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.13 75.48 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.05 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.832 0.349 . . . . 1.0 111.222 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.5 t0 -65.73 -62.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 8.1 p 42.32 -178.18 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.955 -0.566 . . . . 1.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.34 168.79 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.384 0 CA-C-N 116.074 -0.512 . . . . 1.0 114.02 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 1.8 mtpt -123.76 -178.44 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.97 113.51 7.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.539 0.209 . . . . 1.0 111.397 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.7 m-85 75.46 -6.9 1.89 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.933 0.345 . . . . 1.0 111.933 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.1 m -70.86 67.8 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.756 0.312 . . . . 1.0 111.656 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.55 -144.08 0.01 OUTLIER Glycine 0 N--CA 1.461 0.317 0 CA-C-N 115.573 -0.74 . . . . 1.0 113.797 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -137.49 97.68 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.864 0.364 . . . . 1.0 110.901 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.24 177.9 3.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.518 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -70.26 -81.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.413 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.549 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.1 t-20 -69.76 -59.21 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.683 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.659 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.1 29.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.426 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.5 t70 -54.93 53.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.922 0.889 . . . . 1.0 112.665 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' ALA . 86.7 m 57.86 115.3 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.562 -0.744 . . . . 1.0 112.544 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -48.93 167.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.751 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -70.5 62.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.42 -68.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.58 -0.819 . . . . 1.0 111.786 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.5 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -78.55 174.09 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.374 -0.232 . . . . 1.0 110.374 179.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -91.54 170.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 111.58 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 t -108.95 30.83 6.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -70.33 -158.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.91 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 3.9 mp -46.63 -29.25 1.76 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.029 0.442 . . . . 1.0 110.473 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.716 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -137.25 171.1 14.99 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.798 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.668 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.8 t -88.71 55.07 3.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.597 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.46 147.74 43.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.317 -1.311 . . . . 1.0 111.928 -178.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -70.04 162.82 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 1.0 110.903 178.431 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.81 73.19 0.06 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.026 -0.988 . . . . 1.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.244 -0.884 . . . . 1.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.815 0.34 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.2 t0 -65.69 -72.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.807 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.69 165.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.5 168.87 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.369 0 CA-C-N 115.658 -0.701 . . . . 1.0 113.902 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.0 mtpt -141.93 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.814 0.34 . . . . 1.0 110.77 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.52 97.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.868 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.82 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 11.1 m-85 74.04 1.57 3.93 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 1.0 111.95 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -70.78 68.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0 111.306 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.2 -145.88 0.01 OUTLIER Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.455 -0.793 . . . . 1.0 113.504 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.72 87.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.852 0.358 . . . . 1.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.02 -177.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.204 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.214 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.526 ' C ' ' H ' ' A' ' 15' ' ' ASP . 4.6 t-20 -57.49 -53.64 55.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.19 28.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.691 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -54.91 54.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.952 0.901 . . . . 1.0 112.493 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.31 119.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.397 -0.819 . . . . 1.0 112.274 178.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.09 171.65 0.69 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.749 -1.114 . . . . 1.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.96 58.74 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.188 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.33 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.494 -0.86 . . . . 1.0 111.843 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.43 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.357 . . . . 1.0 110.854 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.426 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 30.1 m -72.56 -179.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.278 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.9 t -128.19 28.82 5.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 1.0 111.756 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' CD ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.4 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.903 178.812 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mp -53.42 -26.26 19.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.019 0.438 . . . . 1.0 110.394 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.82 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -146.07 173.49 12.14 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.464 0.65 . . . . 1.0 110.899 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -90.45 60.07 4.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.328 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.27 146.29 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.691 -1.14 . . . . 1.0 111.506 -178.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -70.05 162.54 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 1.0 110.881 178.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.01 72.75 0.07 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.247 -0.882 . . . . 1.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.813 0.339 . . . . 1.0 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.3 t0 -65.69 -43.18 89.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.789 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.3 p 42.29 -177.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.016 -0.538 . . . . 1.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -48.37 175.08 0.02 OUTLIER Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.846 -0.615 . . . . 1.0 113.59 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -136.37 172.24 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.716 0.293 . . . . 1.0 110.767 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.424 HD22 ' CE2' ' A' ' 20' ' ' TYR . 3.5 mm? -60.84 119.41 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.252 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.703 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.2 m-85 72.34 -4.1 2.12 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -71.0 69.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 1.0 111.575 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.41 -144.1 0.01 OUTLIER Glycine 0 N--CA 1.46 0.249 0 CA-C-N 115.627 -0.715 . . . . 1.0 113.58 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.22 91.86 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.804 0.335 . . . . 1.0 110.927 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.09 -176.22 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.338 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -95.69 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.729 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.5 t30 -70.01 -67.19 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.311 . . . . 1.0 111.38 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.74 25.83 0.04 OUTLIER 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.689 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 13' ' ' ASN . 13.2 t0 -38.51 -44.42 0.94 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.352 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 170.92 121.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.526 0.679 . . . . 1.0 111.507 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.2 m -48.45 167.15 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.809 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.06 105.46 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.145 0.497 . . . . 1.0 111.848 -179.479 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.49 -56.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.687 -0.565 . . . . 1.0 111.687 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.448 ' CE1' ' SG ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -98.66 161.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.538 -0.331 . . . . 1.0 110.875 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.32 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.496 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.8 t -110.5 30.33 6.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 1.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -158.24 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.011 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 7.1 mt -43.43 -31.42 0.68 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.195 0.521 . . . . 1.0 110.34 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.703 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.04 172.14 13.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.41 178.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 m -89.5 57.7 4.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.947 -1.024 . . . . 1.0 108.786 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.57 148.3 45.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.488 -178.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -64.44 161.87 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.473 0.654 . . . . 1.0 111.15 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.25 72.01 0.11 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.109 -0.951 . . . . 1.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.795 0.331 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.0 t70 -65.71 -58.16 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.22 162.85 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.815 0.672 . . . . 1.0 112.815 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.83 169.66 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.632 -0.713 . . . . 1.0 113.97 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.3 mtpt -140.19 169.84 16.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.649 0.262 . . . . 1.0 110.554 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mt -43.29 98.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.817 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 75.15 -1.01 3.17 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.42 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -70.81 69.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 1.0 111.488 -179.821 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.13 -145.8 0.01 OUTLIER Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.756 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.62 93.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 1.0 110.728 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.09 -175.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.41 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -67.97 -78.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.166 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 15' ' ' ASP . 22.3 t30 -70.07 -51.9 28.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.749 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.18 27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.843 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.9 t0 -57.58 55.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.595 0.758 . . . . 1.0 112.254 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 66.5 120.81 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.411 -0.813 . . . . 1.0 112.17 178.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 173.8 0.6 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.764 -1.107 . . . . 1.0 110.883 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.85 52.89 0.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.791 -0.641 . . . . 1.0 112.433 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.53 -68.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.75 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.421 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -82.13 157.53 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.35 . . . . 1.0 110.761 179.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -77.9 171.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.409 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 t -112.0 31.45 6.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.055 0.455 . . . . 1.0 111.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.27 -154.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.63 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.89 -30.23 1.66 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.149 0.5 . . . . 1.0 110.304 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.817 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.73 172.9 12.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.439 178.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.13 61.12 5.67 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 177.014 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -71.88 143.57 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.357 -1.292 . . . . 1.0 111.632 -178.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -70.07 163.18 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.783 178.736 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -66.47 72.3 0.08 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.259 -0.877 . . . . 1.0 111.1 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.789 0.328 . . . . 1.0 111.191 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 3' ' ' CYS . 35.1 t0 -65.71 -40.79 92.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.814 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.2 p 42.37 -179.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.407 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.96 170.59 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.873 -0.603 . . . . 1.0 113.527 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.4 mtpt -141.16 168.63 19.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 1.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -48.33 107.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 1.0 111.693 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.8 m-85 73.19 -1.51 3.03 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -71.04 70.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 1.0 111.496 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.08 -143.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 CA-C-N 115.702 -0.681 . . . . 1.0 113.414 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.28 81.73 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.91 0.386 . . . . 1.0 110.756 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -70.06 175.98 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.516 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.438 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 15' ' ' ASP . 35.4 t30 -54.79 -57.57 11.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.785 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.642 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.45 32.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.116 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 t70 -39.33 -4.78 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.472 1.286 . . . . 1.0 114.472 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.642 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 92.76 102.81 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.884 0.849 . . . . 1.0 111.497 179.021 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -45.97 166.73 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.081 -1.418 . . . . 1.0 111.388 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.26 114.33 8.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.937 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.8 -51.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.412 -0.675 . . . . 1.0 111.412 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -105.94 154.16 20.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.822 179.653 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 34.7 m -70.62 -177.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.332 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 t -133.07 26.67 4.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.186 0.517 . . . . 1.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HD3' ' CG2' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -70.54 -136.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.066 179.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.01 -25.41 29.98 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.93 0.395 . . . . 1.0 110.419 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -147.18 174.04 11.97 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.604 0.716 . . . . 1.0 111.153 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -91.11 59.09 3.91 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.568 -1.196 . . . . 1.0 108.252 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -71.97 145.28 48.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.655 -1.157 . . . . 1.0 111.882 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.25 160.95 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.531 0.681 . . . . 1.0 110.933 178.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -68.43 71.36 0.19 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.144 -0.935 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.467 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.887 . . . . 1.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.812 0.339 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.5 t70 -65.71 -71.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.2 p 44.09 172.08 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.13 170.78 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.963 -0.562 . . . . 1.0 114.006 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 13.1 mtpp -142.02 172.58 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.627 -0.287 . . . . 1.0 110.502 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.23 104.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.616 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.823 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 33.8 m-85 71.7 1.49 3.9 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.077 0.399 . . . . 1.0 112.077 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -70.88 68.52 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.944 0.402 . . . . 1.0 111.353 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.42 -145.78 0.01 OUTLIER Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.665 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -146.25 85.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.87 0.367 . . . . 1.0 110.931 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -70.06 176.4 3.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.275 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.4 t30 -56.32 -50.88 70.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.668 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.32 30.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.413 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.1 t0 -50.02 54.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.299 1.039 . . . . 1.0 112.984 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER 56.39 122.59 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.32 -0.855 . . . . 1.0 112.783 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 16.4 m -51.59 161.26 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.845 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.55 58.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -67.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.704 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.89 154.73 25.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 179.435 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.13 -174.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.088 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.57 29.5 3.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.916 0.389 . . . . 1.0 111.64 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.936 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 2.3 mp -50.66 -31.52 16.52 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.171 0.51 . . . . 1.0 110.114 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.823 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.36 172.37 13.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.309 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -84.0 63.96 7.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.143 -1.058 . . . . 1.0 108.143 177.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HG3' ' CE3' ' A' ' 30' ' ' TRP . 4.7 tptt -71.61 146.35 48.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.64 -1.164 . . . . 1.0 112.29 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.31 159.2 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.276 0.56 . . . . 1.0 110.352 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.09 74.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 1.0 111.063 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.24 -0.886 . . . . 1.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.87 0.367 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 3' ' ' CYS . 21.8 t0 -65.72 -47.4 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.81 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p 44.54 165.07 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.13 167.12 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.38 0 CA-C-N 115.405 -0.816 . . . . 1.0 113.995 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 6.7 mtpt -140.79 174.96 10.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 1.0 110.716 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' CD2' ' CD1' ' A' ' 28' ' ' LEU . 4.1 mm? -46.24 96.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.524 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.8 m-85 74.14 4.4 4.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.962 0.356 . . . . 1.0 111.962 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.7 69.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.42 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.389 -0.823 . . . . 1.0 113.621 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 84.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.09 -171.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.316 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -82.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.248 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.4 t-20 -66.16 -65.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.87 22.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 1.0 112.047 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 13' ' ' ASN . 32.1 t70 -38.71 -52.89 1.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.806 0.299 . . . . 1.0 111.806 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 178.41 120.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.373 0.606 . . . . 1.0 111.016 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 170.71 0.52 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.096 -0.956 . . . . 1.0 111.531 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -70.68 59.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.507 -0.769 . . . . 1.0 112.22 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.17 -67.05 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.534 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.42 157.77 21.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.879 0.371 . . . . 1.0 110.82 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -80.4 -179.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.2 t -117.58 33.92 5.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.953 0.406 . . . . 1.0 111.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -70.1 -153.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.523 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 5.1 mt -47.42 -29.27 2.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.172 0.51 . . . . 1.0 110.219 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.867 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.48 171.12 14.57 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.361 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -83.12 64.02 7.45 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 107.446 -1.316 . . . . 1.0 107.446 176.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.11 136.97 48.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 1.0 112.481 -177.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -70.22 160.74 31.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.307 178.433 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 73.61 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.281 -0.872 . . . . 1.0 110.777 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.954 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.784 0.326 . . . . 1.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 3' ' ' CYS . 18.2 t70 -65.73 -72.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.797 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.09 170.75 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.623 0.601 . . . . 1.0 112.623 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -47.93 169.37 0.08 OUTLIER Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 115.955 -0.566 . . . . 1.0 113.739 -178.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.762 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.2 mtpt -127.99 164.43 22.36 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 7' ' ' PHE . 1.5 mt -42.62 105.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.734 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.3 m-85 72.73 -3.36 2.4 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.4 m -70.54 72.25 0.5 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.754 0.311 . . . . 1.0 111.742 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.27 -145.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.69 -0.687 . . . . 1.0 113.816 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.49 93.73 2.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 1.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.11 175.3 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.0 p -67.24 -94.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.3 t-20 -57.26 -45.54 83.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.993 0.425 . . . . 1.0 110.476 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.738 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.38 29.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.502 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 m-20 -48.59 57.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.214 1.006 . . . . 1.0 112.637 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.738 ' N ' ' O ' ' A' ' 14' ' ' ALA . 3.7 m 58.63 126.87 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.045 -0.98 . . . . 1.0 112.467 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 57.9 m -51.4 167.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.152 -0.931 . . . . 1.0 111.283 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 9.58 0.74 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.64 -64.59 0.73 Allowed Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.192 -1.004 . . . . 1.0 111.934 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -81.33 167.13 19.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.577 0.227 . . . . 1.0 110.6 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.48 -167.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.282 . . . . 1.0 110.955 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.8 31.31 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.424 . . . . 1.0 111.242 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -70.38 -146.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.501 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.8 -26.47 5.74 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 121.102 0.477 . . . . 1.0 110.247 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.734 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.49 172.68 12.63 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.786 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.762 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -87.65 55.21 3.4 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.822 -1.177 . . . . 1.0 107.822 176.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -73.03 148.19 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.446 -1.252 . . . . 1.0 111.58 -178.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -55.15 155.85 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.689 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.01 74.32 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.424 -0.807 . . . . 1.0 111.285 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.866 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.815 0.341 . . . . 1.0 111.2 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 3' ' ' CYS . 36.0 t0 -65.71 -54.65 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.553 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.7 165.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.774 0.657 . . . . 1.0 112.774 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.65 169.01 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.647 -0.706 . . . . 1.0 113.841 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 28.7 mtpt -141.71 171.16 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 1.0 110.89 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -44.63 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.828 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.835 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.56 0.55 3.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.892 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -70.74 69.29 0.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.894 0.378 . . . . 1.0 111.331 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.89 -145.59 0.01 OUTLIER Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.492 -0.776 . . . . 1.0 113.561 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.45 86.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.835 0.35 . . . . 1.0 110.8 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.0 -176.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.273 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 15' ' ' ASP . 34.3 t30 -56.49 -53.74 53.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.13 28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.669 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.519 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -54.89 54.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.97 0.908 . . . . 1.0 112.489 -179.089 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.621 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.28 119.0 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 1.0 112.203 178.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 171.77 0.6 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.912 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.84 55.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.78 -0.645 . . . . 1.0 112.439 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.4 -0.905 . . . . 1.0 111.825 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -83.2 156.14 23.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 1.0 110.891 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 27.1 m -72.35 -179.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.264 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.4 t -127.93 29.07 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.992 0.425 . . . . 1.0 111.76 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' CD ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.35 -139.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.773 178.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.95 -25.78 22.29 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.006 0.432 . . . . 1.0 110.361 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.835 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.48 174.11 11.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.514 0.673 . . . . 1.0 110.898 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.04 60.07 4.22 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.908 -1.145 . . . . 1.0 107.908 177.043 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -71.97 145.71 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.51 -1.223 . . . . 1.0 111.6 -178.422 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -70.11 160.44 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 1.0 110.896 178.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 71.9 0.18 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.142 -0.936 . . . . 1.0 110.747 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.247 -0.882 . . . . 1.0 111.206 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.782 0.325 . . . . 1.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.1 t70 -65.71 -34.87 79.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 2' ' ' ASP . 13.4 p 42.36 -179.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.337 0.589 . . . . 1.0 112.375 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -51.6 173.69 0.17 Allowed Glycine 0 N--CA 1.43 -1.71 0 CA-C-N 115.78 -0.646 . . . . 1.0 113.527 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -130.2 169.39 15.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.595 0.236 . . . . 1.0 110.696 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD2' ' CZ ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.57 118.87 7.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.49 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.5 m-85 72.88 -7.48 1.46 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.9 m -71.12 67.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 1.0 111.664 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.54 -143.37 0.01 OUTLIER Glycine 0 N--CA 1.461 0.315 0 CA-C-N 115.594 -0.73 . . . . 1.0 113.716 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -136.75 88.76 2.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.944 0.402 . . . . 1.0 110.733 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -70.18 -159.91 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.595 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -57.63 -158.16 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.12 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -41.28 -42.65 2.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.982 0.42 . . . . 1.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -71.43 27.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.282 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 13' ' ' ASN . 2.4 m-20 -38.46 -43.37 0.83 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.452 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER 172.14 124.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.0 111.866 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -48.66 170.59 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.03 -0.987 . . . . 1.0 110.765 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -70.17 106.95 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.0 111.9 -179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.85 -55.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.661 -0.575 . . . . 1.0 111.661 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -102.37 171.55 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.372 . . . . 1.0 110.892 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 m -96.39 174.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.583 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.0 t -106.8 30.96 5.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.293 0.568 . . . . 1.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.09 -160.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.608 -0.723 . . . . 1.0 110.176 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.9 mt -43.93 -31.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.201 0.524 . . . . 1.0 110.28 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.55 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.01 166.97 22.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.033 178.74 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -84.95 52.58 2.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.647 -0.706 . . . . 1.0 109.168 177.699 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.02 156.66 38.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.522 -179.249 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' TRP . 11.0 mp -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.211 0.529 . . . . 1.0 110.386 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.1 76.38 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.065 -0.97 . . . . 1.0 111.371 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.848 0.356 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' CYS . 20.7 t0 -65.74 -33.03 74.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.817 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.3 p 42.27 -178.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.942 -0.572 . . . . 1.0 112.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -49.37 173.11 0.06 OUTLIER Glycine 0 N--CA 1.431 -1.665 0 CA-C-N 115.764 -0.653 . . . . 1.0 113.553 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 4.1 mtpt -131.48 173.22 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.921 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 20' ' ' TYR . 1.9 mm? -62.13 121.2 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.366 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.778 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.7 m-85 71.51 -4.44 1.86 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 111.965 0.357 . . . . 1.0 111.965 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLY . 2.1 m -70.8 69.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 1.0 111.54 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.55 -144.79 0.01 OUTLIER Glycine 0 N--CA 1.461 0.314 0 CA-C-N 115.58 -0.736 . . . . 1.0 113.66 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.89 91.79 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.831 0.348 . . . . 1.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.07 -173.71 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.62 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -70.59 -103.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.647 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.543 ' C ' ' H ' ' A' ' 15' ' ' ASP . 32.3 t30 -68.46 -65.29 0.72 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.731 0.301 . . . . 1.0 111.172 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.66 24.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 13' ' ' ASN . 11.5 t0 -38.82 -44.93 1.09 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 173.9 121.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.41 0.624 . . . . 1.0 111.475 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -46.6 166.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.941 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.08 102.39 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 1.0 111.81 -179.493 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.79 -57.89 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.789 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -94.21 167.94 11.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 1.0 111.004 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.0 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.03 31.5 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 1.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -70.26 -154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.785 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -47.4 -28.87 2.28 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.034 0.445 . . . . 1.0 110.381 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.778 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.63 173.89 11.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.558 0.694 . . . . 1.0 110.882 179.294 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -88.79 55.61 3.43 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.671 -1.15 . . . . 1.0 108.378 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -72.87 144.23 47.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.968 -1.014 . . . . 1.0 111.579 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -62.97 158.01 20.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.292 0.568 . . . . 1.0 110.826 178.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.8 71.72 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.377 -0.829 . . . . 1.0 111.063 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.463 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.189 -0.91 . . . . 1.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.811 0.338 . . . . 1.0 111.157 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.545 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.6 t0 -65.64 -54.99 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' O ' ' O ' ' A' ' 2' ' ' ASP . 4.2 p 44.1 168.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.81 0.67 . . . . 1.0 112.81 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.81 168.08 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.877 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 4.1 mtpp -141.42 173.08 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.861 0.362 . . . . 1.0 110.748 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -46.08 96.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.714 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER 74.39 3.52 4.33 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.818 179.363 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.59 69.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.51 -145.59 0.01 OUTLIER Glycine 0 N--CA 1.459 0.2 0 CA-C-N 115.386 -0.825 . . . . 1.0 113.538 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.34 85.81 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.833 0.349 . . . . 1.0 110.912 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -70.1 -172.15 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.207 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -87.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.7 t-20 -62.07 -62.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.87 22.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.979 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 13' ' ' ASN . 26.2 t70 -38.41 -57.18 1.16 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 122.471 0.309 . . . . 1.0 111.759 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.72 119.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.46 0.648 . . . . 1.0 111.475 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.11 169.07 0.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.006 -0.997 . . . . 1.0 111.285 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.82 59.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 1.0 112.267 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.6 -67.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.541 -0.838 . . . . 1.0 111.737 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -84.49 158.25 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.815 0.34 . . . . 1.0 110.799 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.36 -176.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.1 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.3 t -136.54 27.92 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 1.0 111.334 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -114.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.112 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.68 -30.49 67.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.164 0.507 . . . . 1.0 109.997 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.877 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.29 175.22 10.26 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.768 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -92.94 53.95 2.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.887 -1.051 . . . . 1.0 108.27 177.002 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CG ' ' CE3' ' A' ' 30' ' ' TRP . 1.7 tttt -72.96 147.89 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.245 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.56 156.26 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.222 0.535 . . . . 1.0 110.674 178.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.69 74.34 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.213 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.457 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.285 -0.864 . . . . 1.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.802 0.334 . . . . 1.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 3' ' ' CYS . 14.0 p-10 -56.49 -42.25 77.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.9 p 44.37 169.58 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.635 0.605 . . . . 1.0 112.635 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 167.44 0.39 Allowed Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 121.139 -0.553 . . . . 1.0 113.859 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.723 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.0 mtpt -129.37 165.04 22.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.561 -0.32 . . . . 1.0 110.555 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 1.4 mm? -41.32 111.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.358 0.503 . . . . 1.0 112.358 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.84 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.9 m-85 68.27 -6.32 0.79 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.667 0.618 . . . . 1.0 112.667 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 3.3 m -70.91 73.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 1.0 111.633 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.17 -146.46 0.01 OUTLIER Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.923 -0.581 . . . . 1.0 113.596 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -156.38 89.89 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.806 0.336 . . . . 1.0 110.852 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.05 -177.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.199 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -86.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.101 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' A' ' 15' ' ' ASP . 26.0 t30 -55.21 -56.54 18.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 30.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -53.12 55.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.055 0.942 . . . . 1.0 112.457 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.5 m 59.5 122.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.199 -0.909 . . . . 1.0 112.265 178.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 27.1 m -46.16 162.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.139 -0.937 . . . . 1.0 111.014 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.5 59.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.27 -66.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.658 -0.782 . . . . 1.0 111.775 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.78 160.53 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.694 0.283 . . . . 1.0 110.513 179.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 m -78.6 170.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.02 30.46 6.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.533 . . . . 1.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -70.31 -156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.856 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -47.13 -28.84 1.95 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.84 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.88 173.91 11.07 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.569 0.699 . . . . 1.0 110.975 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.723 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -88.54 58.47 4.7 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.597 -1.183 . . . . 1.0 108.151 176.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.85 142.43 47.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.663 -1.153 . . . . 1.0 111.277 -178.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -61.41 157.36 17.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.378 0.609 . . . . 1.0 110.681 178.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -67.46 71.24 0.12 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.333 -0.849 . . . . 1.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.21 -0.9 . . . . 1.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.825 0.345 . . . . 1.0 111.249 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' CYS . 19.4 t70 -65.73 -56.75 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 25.6 p 42.16 -174.55 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 112.204 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' CYS . . . -40.57 171.3 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.748 -0.66 . . . . 1.0 114.229 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 16.7 mtpt -141.26 -169.75 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.317 -0.253 . . . . 1.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' CD2' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mt -70.63 103.34 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.764 -0.198 . . . . 1.0 111.231 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.805 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.1 m-85 74.36 2.9 4.23 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 111.922 0.342 . . . . 1.0 111.922 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -70.46 69.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 1.0 111.405 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.72 -147.41 0.01 OUTLIER Glycine 0 N--CA 1.461 0.339 0 CA-C-N 115.447 -0.797 . . . . 1.0 113.645 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 32.4 m -138.21 94.06 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.849 0.357 . . . . 1.0 110.724 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 5.5 m-20 -70.14 -177.22 1.33 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.607 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -95.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.982 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.0 t30 -69.49 -67.66 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.795 0.331 . . . . 1.0 111.277 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.59 24.93 0.04 OUTLIER 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.431 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' A' ' 13' ' ' ASN . 34.5 t0 -38.41 -70.68 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.707 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 95.9 m -157.05 115.59 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.045 0.45 . . . . 1.0 111.415 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.4 m -52.52 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.793 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.13 86.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.7 -62.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.875 -0.679 . . . . 1.0 111.838 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.56 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -93.02 171.09 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.29 . . . . 1.0 110.869 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.28 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.65 29.47 4.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 1.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.55 -118.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.15 -24.33 63.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.037 0.446 . . . . 1.0 110.282 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.805 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -149.29 174.46 12.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.555 0.693 . . . . 1.0 110.958 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 11.6 t -90.8 50.23 1.77 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.819 -1.178 . . . . 1.0 107.819 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -72.59 145.69 47.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.034 -1.439 . . . . 1.0 112.095 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 7.2 mp -63.31 157.78 22.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 1.0 110.692 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.55 72.03 0.08 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.349 -0.841 . . . . 1.0 110.935 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.456 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.284 -0.865 . . . . 1.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.825 0.345 . . . . 1.0 111.24 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.2 t70 -65.69 -34.0 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 16.2 p 42.49 -178.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.951 -0.568 . . . . 1.0 112.41 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -41.83 169.57 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 114.002 -178.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.667 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 31.3 mtpt -141.75 -170.46 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.31 102.18 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.158 -0.217 . . . . 1.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.71 2.98 4.17 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 m -70.45 70.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 1.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.84 -145.97 0.01 OUTLIER Glycine 0 N--CA 1.459 0.217 0 CA-C-N 115.409 -0.814 . . . . 1.0 113.537 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -142.64 96.61 2.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 1.0 111.117 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.11 -177.52 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.241 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -95.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.42 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -69.71 -64.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 111.065 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 23.09 0.04 OUTLIER 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.816 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.1 t0 -38.79 -65.6 0.35 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.64 -179.485 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 84.6 m -155.6 117.34 4.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.027 0.441 . . . . 1.0 111.499 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.99 174.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.992 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -70.31 61.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 1.0 112.039 -179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.85 -67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 1.0 111.669 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -88.86 162.05 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.64 0.257 . . . . 1.0 110.589 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -166.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.05 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -136.29 28.53 3.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.145 0.498 . . . . 1.0 111.282 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -70.42 -140.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.637 . . . . 1.0 109.741 178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.03 -26.78 11.61 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 1.0 110.15 178.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.37 175.04 10.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.626 0.727 . . . . 1.0 110.749 179.372 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.667 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.9 t -95.43 54.96 1.66 Allowed 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.61 -1.177 . . . . 1.0 108.216 177.372 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -73.01 147.67 44.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.96 -1.473 . . . . 1.0 111.883 -178.666 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -62.06 157.06 19.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 1.0 110.712 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.33 71.43 0.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.434 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.837 0.351 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.7 -31.82 73.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 2.6 p -53.92 169.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.591 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.6 167.81 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 115.666 -0.697 . . . . 1.0 114.256 -178.751 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 18.2 mtpt -140.97 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.504 -0.348 . . . . 1.0 110.424 179.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -44.82 96.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.677 -179.803 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.5 m-85 75.46 1.43 3.63 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 111.957 0.354 . . . . 1.0 111.957 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.77 71.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 1.0 111.565 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.57 -146.78 0.01 OUTLIER Glycine 0 N--CA 1.46 0.268 0 CA-C-N 115.689 -0.687 . . . . 1.0 113.751 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.16 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 1.0 110.768 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.08 -169.03 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.407 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.7 t-20 -64.76 -61.3 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.97 24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.837 179.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 13' ' ' ASN . 8.6 t0 -38.63 -55.72 1.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -176.52 123.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.355 0.598 . . . . 1.0 112.227 -179.862 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 23.4 m -49.7 159.8 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.07 -0.968 . . . . 1.0 110.947 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pm0 -70.58 58.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.959 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.0 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.7 -0.762 . . . . 1.0 111.652 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.476 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.83 172.24 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.706 0.289 . . . . 1.0 110.655 179.35 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.99 176.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.177 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -116.73 30.84 7.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 1.0 111.226 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -70.33 -151.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.605 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -48.27 -28.59 3.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.124 0.488 . . . . 1.0 110.211 179.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.09 172.94 12.1 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.569 179.235 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -92.07 53.81 2.25 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.76 -1.2 . . . . 1.0 107.76 176.614 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.52 146.37 46.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.596 -1.184 . . . . 1.0 111.665 -178.532 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 1.1 mp -59.84 157.83 11.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.539 . . . . 1.0 110.759 178.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.51 72.92 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.398 -0.819 . . . . 1.0 111.009 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.232 -0.89 . . . . 1.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.838 0.351 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.66 121.39 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.297 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.52 167.49 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 115.719 -0.673 . . . . 1.0 114.143 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.6 mtmm -140.75 169.24 18.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.822 0.344 . . . . 1.0 110.777 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' CD2' ' CD1' ' A' ' 28' ' ' LEU . 4.5 mm? -45.39 104.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.894 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.9 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 8.2 m-85 70.05 4.04 4.63 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 69.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.38 -147.29 0.01 OUTLIER Glycine 0 CA--C 1.517 0.204 0 CA-C-N 115.366 -0.834 . . . . 1.0 113.621 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.1 78.26 1.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 1.0 110.594 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-20 -55.78 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.388 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.251 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 15' ' ' ASP . 23.4 t30 -70.15 -57.44 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 1.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.73 20.62 0.04 OUTLIER 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.89 -48.52 1.57 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.828 0.347 . . . . 1.0 111.141 -179.713 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 122.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 1.0 111.453 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.44 168.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.375 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.1 64.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.0 -65.0 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.363 -0.922 . . . . 1.0 112.864 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.705 ' N ' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -87.02 -175.21 5.26 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 120.725 0.297 . . . . 1.0 110.914 -179.075 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -164.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.154 179.197 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -145.65 29.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.22 0.533 . . . . 1.0 111.023 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.76 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.056 179.278 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 3.5 mt -70.58 -21.11 62.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.98 0.419 . . . . 1.0 110.317 178.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.9 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -155.91 175.32 14.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.5 0.667 . . . . 1.0 111.159 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.85 68.33 7.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 176.359 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.4 107.11 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.86 -1.518 . . . . 1.0 111.95 -177.913 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -50.08 162.03 0.23 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.491 . . . . 1.0 110.753 179.464 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.61 74.31 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.96 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.772 0.32 . . . . 1.0 111.155 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.7 p-10 -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 6.2 p 43.64 172.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.695 0.628 . . . . 1.0 112.695 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.82 168.49 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 115.475 -0.784 . . . . 1.0 113.784 -178.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.5 mtpt -141.05 169.82 16.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.928 0.394 . . . . 1.0 111.056 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.03 100.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.905 -179.817 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 71.74 3.4 4.65 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.065 0.395 . . . . 1.0 112.065 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.65 67.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.996 0.427 . . . . 1.0 111.324 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 29.11 -146.62 0.01 OUTLIER Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.297 -0.865 . . . . 1.0 114.004 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.02 74.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 1.0 110.457 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.03 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.669 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 p -62.11 -142.27 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 15' ' ' ASP . 31.2 t30 -42.52 -40.09 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.987 0.422 . . . . 1.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . . . -70.98 23.62 0.04 OUTLIER 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.625 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 13' ' ' ASN . 7.1 m-20 -38.69 -50.24 1.62 Allowed 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 122.73 0.412 . . . . 1.0 111.781 -179.022 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.03 122.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 1.0 111.78 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.17 169.77 0.16 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.966 -1.016 . . . . 1.0 111.329 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 60.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.379 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.23 -67.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.789 . . . . 1.0 111.551 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -90.19 153.17 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.788 0.328 . . . . 1.0 110.737 179.296 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 34.3 m -73.43 -170.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 29.6 1.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 1.0 111.554 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -122.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.559 178.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.36 -23.37 62.48 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.143 0.497 . . . . 1.0 109.821 178.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.764 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -156.65 171.92 19.5 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.427 179.441 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -88.8 60.71 5.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 177.195 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.93 149.24 43.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.302 -1.317 . . . . 1.0 111.723 -178.819 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -70.22 162.6 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.528 0.68 . . . . 1.0 110.984 178.491 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.82 72.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.963 . . . . 1.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.241 -0.885 . . . . 1.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 1.0 111.184 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.74 81.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 p -58.91 179.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.311 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -50.9 171.61 0.18 Allowed Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.896 -0.593 . . . . 1.0 113.665 -179.002 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -121.93 175.04 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 1.0 110.889 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 20' ' ' TYR . 1.4 mm? -64.99 124.2 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.327 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.793 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.0 m-85 71.8 -7.19 1.3 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.3 m -70.82 70.45 0.48 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.694 0.283 . . . . 1.0 111.676 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 28.13 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.462 0.384 0 CA-C-N 115.753 -0.658 . . . . 1.0 113.578 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 m -134.1 96.77 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.865 0.364 . . . . 1.0 110.705 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.08 170.64 11.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.626 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.628 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.548 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.6 t-20 -70.19 -65.82 0.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.237 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.688 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.04 31.87 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.369 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 t0 -54.03 55.17 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.896 0.879 . . . . 1.0 112.082 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.1 m 60.59 123.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.123 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m -44.27 165.04 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.801 -1.09 . . . . 1.0 111.246 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.8 pt-20 -70.47 72.71 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 1.0 112.106 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.82 -67.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.622 -0.799 . . . . 1.0 111.804 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -77.69 165.15 24.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.686 0.279 . . . . 1.0 110.507 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -84.91 170.52 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.333 . . . . 1.0 111.308 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -106.68 31.21 5.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.262 0.553 . . . . 1.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -160.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.238 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -44.29 -30.2 0.78 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.105 0.478 . . . . 1.0 110.54 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.793 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.75 174.35 10.62 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.609 0.719 . . . . 1.0 110.903 179.135 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -86.78 58.42 5.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.561 -1.2 . . . . 1.0 108.505 176.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -73.01 140.95 47.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.303 -179.04 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -61.02 158.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.367 0.603 . . . . 1.0 110.995 178.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -64.12 74.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.252 -0.886 . . . . 1.0 111.055 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.264 -0.874 . . . . 1.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.794 0.33 . . . . 2.4900000000000002 111.2 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.2 t0 -65.89 -51.87 54.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 2.2200000000000002 110.835 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.9 p 44.45 166.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.783 0.661 . . . . 0.98999999999999999 112.783 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.51 168.67 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.424 0 CA-C-N 115.457 -0.792 . . . . 0.57999999999999996 113.857 -178.782 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 22.5 mtpt -140.15 171.11 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.924 0.392 . . . . 2.6800000000000002 110.93 179.481 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.91 100.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 2.0600000000000001 111.516 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.868 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 75.89 1.87 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.362 -0.381 . . . . 1.49 111.967 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 69.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.946 0.403 . . . . 0.98999999999999999 111.308 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.92 -146.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.395 -0.821 . . . . 0.42999999999999999 113.87 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.09 88.01 1.78 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.89000000000000001 110.663 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.04 -177.71 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 1.4399999999999999 111.467 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.066 -0.516 . . . . 1.6599999999999999 111.331 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 15' ' ' ASP . 12.6 t-20 -67.84 -65.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 2.4100000000000001 110.769 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . -70.84 23.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 1.26 111.738 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 13' ' ' ASN . 42.3 t0 -38.86 -54.53 1.62 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.152 0.427 . . . . 2.1400000000000001 112.152 -179.071 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -174.77 122.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.362 0.601 . . . . 1.1299999999999999 111.64 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 170.3 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.103 -0.953 . . . . 1.1899999999999999 111.309 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -70.9 59.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.536 -0.756 . . . . 1.98 112.244 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.65 -67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.57 -0.824 . . . . 0.80000000000000004 111.668 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -85.18 158.01 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.823 0.344 . . . . 2.0099999999999998 110.743 179.471 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.8 m -78.72 -177.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 1.1200000000000001 111.204 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.8 t -124.87 31.07 5.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.218 0.532 . . . . 0.81000000000000005 111.06 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -70.35 -144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.781 -0.645 . . . . 3.9199999999999999 109.505 178.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.95 -26.81 6.43 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.185 0.517 . . . . 1.1100000000000001 110.149 178.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.868 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.568 -0.742 . . . . 1.1100000000000001 110.705 179.416 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.95 57.8 3.23 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.785 -1.191 . . . . 0.76000000000000001 107.785 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -72.16 144.39 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.471 -1.24 . . . . 2.3799999999999999 111.53 -178.485 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -59.42 158.06 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.339 0.59 . . . . 1.6599999999999999 110.914 179.013 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -64.83 73.55 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.363 -0.835 . . . . 1.23 111.032 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.469 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 1.99 110.94 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' CYS . 34.9 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.616 0.246 . . . . 1.0 110.803 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.2 p 41.97 -174.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.026 -0.533 . . . . 1.0 112.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -54.02 170.67 1.04 Allowed Glycine 0 N--CA 1.429 -1.788 0 CA-C-N 116.042 -0.526 . . . . 1.0 113.587 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 176.96 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.802 0.334 . . . . 1.0 110.733 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.901 HD21 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -67.87 120.16 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.992 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 6' ' ' LEU . 25.1 m-85 73.36 -1.79 2.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.75 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -71.11 71.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 1.0 111.43 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 33.49 -147.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.748 -0.66 . . . . 1.0 113.354 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.86 80.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 1.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -70.1 160.06 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.238 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.04 -79.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 15' ' ' ASP . 27.0 t30 -64.13 -50.15 69.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.977 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -70.77 14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.532 0.567 . . . . 1.0 112.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' CYS . 35.5 t70 -39.15 66.92 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 123.871 0.868 . . . . 1.0 111.603 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.843 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.7 m 6.96 116.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.676 -1.602 . . . . 1.0 113.323 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -39.71 162.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.892 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.21 120.78 11.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.856 -0.611 . . . . 1.0 112.055 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.15 -53.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.76 178.26 4.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.219 -0.49 . . . . 1.0 110.383 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 29' ' ' ASP . 27.2 m -98.14 -176.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.651 0.262 . . . . 1.0 111.302 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.52 30.28 7.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.194 0.521 . . . . 1.0 110.989 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -70.42 -154.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.659 -0.7 . . . . 1.0 109.656 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' H ' HD12 ' A' ' 24' ' ' LEU . 1.7 mp -47.38 -29.56 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.153 0.501 . . . . 1.0 110.24 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.86 163.99 30.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.076 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.537 ' C ' ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -86.19 47.06 1.41 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.654 -0.869 . . . . 1.0 108.654 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.31 163.57 27.9 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.86 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.901 HD12 HD21 ' A' ' 6' ' ' LEU . 2.2 mp -51.49 163.62 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.294 0.568 . . . . 1.0 110.563 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 21' ' ' VAL . 4.3 t70 . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.219 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 3' ' ' CYS . 27.9 t70 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.608 0.242 . . . . 1.0 110.796 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.01 172.0 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.566 0.58 . . . . 1.0 112.566 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.28 170.05 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 116.021 -0.536 . . . . 1.0 113.944 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 24.1 mtpt -142.03 173.02 11.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.685 0.279 . . . . 1.0 110.495 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.685 HD11 HD13 ' A' ' 28' ' ' LEU . 3.5 mm? -44.58 98.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.756 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 9.2 m-85 74.09 1.29 3.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.101 0.408 . . . . 1.0 112.101 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.66 70.95 0.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 1.0 111.332 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.58 -147.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.524 -0.762 . . . . 1.0 113.588 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.36 82.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.888 0.375 . . . . 1.0 110.756 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.02 -179.6 1.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.329 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.205 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.5 t30 -54.04 -55.91 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.628 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.23 27.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.535 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.81 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.167 0.987 . . . . 1.0 112.799 -178.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.49 123.96 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.457 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 m -53.0 164.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.833 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.65 57.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.64 -67.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.563 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.4 164.93 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.689 0.281 . . . . 1.0 110.575 179.396 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -83.35 -166.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.852 -179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' H ' HG12 ' A' ' 21' ' ' VAL . 20.6 t -128.27 33.19 4.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.005 0.431 . . . . 1.0 111.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -70.19 -155.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.724 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.7 mt -46.46 -29.96 1.97 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.079 0.466 . . . . 1.0 110.296 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.57 170.61 15.69 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.425 178.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -81.82 64.41 6.51 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.521 -1.289 . . . . 1.0 107.521 176.724 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 8.2 tttt -71.61 136.46 47.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.249 -1.341 . . . . 1.0 112.516 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.0 161.87 29.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.304 178.333 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.248 -0.887 . . . . 1.0 110.865 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.7 p-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.638 0.256 . . . . 1.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.915 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.8 p 42.48 -179.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.429 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.37 170.13 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.46 0 CA-C-N 115.781 -0.645 . . . . 1.0 113.885 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 8.6 mtmm -139.61 -165.25 1.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.997 -0.371 . . . . 1.0 109.997 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.918 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.7 mt -70.86 95.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.86 -0.155 . . . . 1.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.918 ' CE2' HD22 ' A' ' 6' ' ' LEU . 20.0 m-85 72.61 4.04 4.87 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 111.952 0.352 . . . . 1.0 111.952 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.8 m -70.5 69.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 1.0 111.546 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 29.97 -147.05 0.01 OUTLIER Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.495 -0.775 . . . . 1.0 113.843 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.24 92.66 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 1.0 110.95 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -70.08 -156.34 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.173 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p -57.67 -158.96 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 15' ' ' ASP . 29.7 t30 -40.78 -39.63 1.15 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 1.0 111.163 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.915 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.21 25.67 0.04 OUTLIER 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.609 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 m-20 -38.86 -60.67 0.82 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.636 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 91.0 m -155.27 119.33 4.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.967 0.413 . . . . 1.0 111.631 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.4 179.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.018 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.36 60.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 1.0 112.161 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.25 -67.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -92.28 165.75 12.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.604 -0.298 . . . . 1.0 110.465 179.288 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.8 m -92.73 179.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 1.0 111.389 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -114.45 29.99 7.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.214 0.531 . . . . 1.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -70.46 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 1.0 109.642 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.6 mt -48.34 -29.0 3.5 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.149 0.499 . . . . 1.0 110.222 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.56 168.56 19.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.287 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 8.4 t -89.11 47.51 1.5 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.458 -0.942 . . . . 1.0 108.458 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.21 163.61 27.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.37 -1.286 . . . . 1.0 111.821 -178.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -52.05 163.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.311 0.577 . . . . 1.0 110.477 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 115.051 -0.977 . . . . 1.0 111.221 -179.563 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.7 t70 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.588 0.232 . . . . 1.0 110.829 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p 43.9 172.61 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.76 170.65 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.483 0 CA-C-N 116.048 -0.524 . . . . 1.0 113.921 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 3.3 mtpt -139.96 172.49 12.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.687 0.279 . . . . 1.0 110.5 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -46.25 100.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.637 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.9 m-85 73.78 2.15 4.14 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 70.06 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.399 . . . . 1.0 111.407 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.15 -147.22 0.01 OUTLIER Glycine 0 N--CA 1.461 0.3 0 CA-C-N 115.501 -0.772 . . . . 1.0 113.82 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 m -144.45 84.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.32 . . . . 1.0 110.827 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.08 173.67 6.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.246 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -87.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.488 . . . . 1.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.9 t30 -54.76 -54.84 36.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.486 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.71 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 28.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.485 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.519 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.46 56.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.183 0.993 . . . . 1.0 112.77 -178.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.86 125.0 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.193 -0.912 . . . . 1.0 112.617 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 19.5 m -54.25 163.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.75 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.64 -0.791 . . . . 1.0 111.635 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.96 158.43 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.794 0.33 . . . . 1.0 110.679 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 m -78.67 -179.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.83 33.81 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.389 . . . . 1.0 111.267 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -70.14 -149.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.594 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.4 mt -48.31 -29.25 3.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.172 0.511 . . . . 1.0 110.133 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -142.44 171.24 14.32 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.406 178.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -82.59 64.17 7.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 176.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -71.34 136.74 47.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.303 -1.317 . . . . 1.0 112.537 -177.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.2 161.15 30.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.279 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.86 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.3 t0 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.571 0.224 . . . . 1.0 110.811 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.23 162.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.52 169.29 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.608 -0.724 . . . . 1.0 113.837 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 2.5 mtpt -140.6 169.5 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.0 110.667 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 28' ' ' LEU . 4.2 mt -43.23 97.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.995 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.6 m-85 75.31 -1.12 3.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.142 0.423 . . . . 1.0 112.142 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.5 m -70.83 70.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 1.0 111.368 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.65 -146.32 0.01 OUTLIER Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.642 -0.708 . . . . 1.0 113.463 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 88.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.837 0.351 . . . . 1.0 110.773 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.06 -175.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -85.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.211 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.2 t-20 -56.91 -54.74 43.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.17 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.696 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.09 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.891 0.876 . . . . 1.0 112.303 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 60.62 120.13 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.335 -0.848 . . . . 1.0 112.04 178.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 172.91 0.68 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.835 -1.075 . . . . 1.0 111.018 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.88 58.01 0.21 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.195 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.42 -67.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.518 -0.849 . . . . 1.0 111.692 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.507 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.03 158.55 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.767 0.317 . . . . 1.0 110.718 179.488 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -78.94 172.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.302 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.9 t -113.18 31.04 6.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.031 0.444 . . . . 1.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -70.37 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.773 -0.649 . . . . 1.0 109.656 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -47.74 -28.98 2.75 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.12 0.486 . . . . 1.0 110.224 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.892 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.93 174.33 10.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.663 179.13 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -92.36 57.8 3.08 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.849 -1.167 . . . . 1.0 107.849 176.795 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.436 -1.256 . . . . 1.0 111.491 -178.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.938 HD13 HD21 ' A' ' 6' ' ' LEU . 4.8 mp -61.08 156.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 1.0 110.658 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.979 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.0 p-10 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.523 0.201 . . . . 1.0 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.3 p 44.67 163.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.55 0.69 . . . . 1.0 112.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.0 169.48 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.319 -0.855 . . . . 1.0 113.721 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 9.8 mtmm -140.02 170.71 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 1.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.702 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt -43.91 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.971 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.692 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 74.86 1.06 3.7 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.145 0.424 . . . . 1.0 112.145 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 2.5 m -70.78 68.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 1.0 111.365 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.64 -146.58 0.01 OUTLIER Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.725 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.58 87.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.917 0.389 . . . . 1.0 110.691 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -70.02 -158.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.176 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 13' ' ' ASN . 4.7 t -61.49 -131.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.866 0.365 . . . . 1.0 111.128 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.501 ' N ' ' OG1' ' A' ' 12' ' ' THR . 25.1 t30 -45.41 -41.03 8.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.723 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.09 19.71 0.05 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.824 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.2 m-20 -38.79 -49.49 1.62 Allowed 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.477 0.311 . . . . 1.0 111.797 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -179.53 123.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.363 0.601 . . . . 1.0 111.308 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 171.61 0.82 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 60.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.54 -0.755 . . . . 1.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.39 -66.89 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.552 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -87.45 165.49 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.595 -0.302 . . . . 1.0 110.575 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 28.0 m -87.04 175.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.337 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.44 30.88 6.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 1.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -70.37 -153.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 1.0 109.58 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.4 mt -47.93 -28.87 2.93 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.163 0.506 . . . . 1.0 110.216 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.692 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.04 167.64 21.6 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.527 -0.761 . . . . 1.0 110.215 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.87 52.8 2.38 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 177.325 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.76 155.76 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.946 -1.025 . . . . 1.0 111.494 -179.011 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 6' ' ' LEU . 6.1 mp -54.71 163.54 0.93 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.317 -0.818 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.05 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.5 t0 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.609 0.242 . . . . 1.0 110.804 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 8.1 p 42.32 -178.18 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.955 -0.566 . . . . 1.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.34 168.79 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.384 0 CA-C-N 116.074 -0.512 . . . . 1.0 114.02 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 1.8 mtpt -123.76 -178.44 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 28' ' ' LEU . 2.4 mm? -69.97 113.51 7.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.539 0.209 . . . . 1.0 111.397 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.781 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.7 m-85 75.46 -6.9 1.89 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.933 0.345 . . . . 1.0 111.933 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.1 m -70.86 67.8 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.756 0.312 . . . . 1.0 111.656 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.55 -144.08 0.01 OUTLIER Glycine 0 N--CA 1.461 0.317 0 CA-C-N 115.573 -0.74 . . . . 1.0 113.797 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -137.49 97.68 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.864 0.364 . . . . 1.0 110.901 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.24 177.9 3.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.518 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -70.26 -81.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.413 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.1 t-20 -69.76 -59.21 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.683 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.1 29.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.426 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.5 t70 -54.93 53.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.922 0.889 . . . . 1.0 112.665 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' ALA . 86.7 m 57.86 115.3 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.562 -0.744 . . . . 1.0 112.544 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -48.93 167.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.751 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -70.5 62.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.42 -68.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.58 -0.819 . . . . 1.0 111.786 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.504 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -78.55 174.09 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.374 -0.232 . . . . 1.0 110.374 179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.0 m -91.54 170.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 t -108.95 30.83 6.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -70.33 -158.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.91 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.9 mp -46.63 -29.25 1.76 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.029 0.442 . . . . 1.0 110.473 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.781 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -137.25 171.1 14.99 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.798 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.668 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.8 t -88.71 55.07 3.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.597 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.46 147.74 43.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.317 -1.311 . . . . 1.0 111.928 -178.759 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.04 162.82 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 1.0 110.903 178.431 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.026 -0.988 . . . . 1.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.2 t0 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.589 0.233 . . . . 1.0 110.807 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.69 165.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.5 168.87 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.369 0 CA-C-N 115.658 -0.701 . . . . 1.0 113.902 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.0 mtpt -141.93 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.814 0.34 . . . . 1.0 110.77 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 28' ' ' LEU . 4.0 mm? -44.52 97.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.868 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.856 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 11.1 m-85 74.04 1.57 3.93 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 1.0 111.95 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.78 68.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0 111.306 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.2 -145.88 0.01 OUTLIER Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.455 -0.793 . . . . 1.0 113.504 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.72 87.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.852 0.358 . . . . 1.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.02 -177.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.204 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.214 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 15' ' ' ASP . 4.6 t-20 -57.49 -53.64 55.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.19 28.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.691 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -54.91 54.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.952 0.901 . . . . 1.0 112.493 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.31 119.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.397 -0.819 . . . . 1.0 112.274 178.731 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.09 171.65 0.69 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.749 -1.114 . . . . 1.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.96 58.74 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.188 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.33 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.494 -0.86 . . . . 1.0 111.843 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.43 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.357 . . . . 1.0 110.854 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.68 HG21 ' CD ' ' A' ' 23' ' ' ARG . 30.1 m -72.56 -179.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.278 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.9 t -128.19 28.82 5.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 1.0 111.756 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.68 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.4 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.903 178.812 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.6 mp -53.42 -26.26 19.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.019 0.438 . . . . 1.0 110.394 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.856 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -146.07 173.49 12.14 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.464 0.65 . . . . 1.0 110.899 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -90.45 60.07 4.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.328 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.27 146.29 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.691 -1.14 . . . . 1.0 111.506 -178.616 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.05 162.54 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 1.0 110.881 178.772 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.318 -0.785 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.3 t0 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.543 0.211 . . . . 1.0 110.789 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.844 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.3 p 42.29 -177.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.016 -0.538 . . . . 1.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -48.37 175.08 0.02 OUTLIER Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.846 -0.615 . . . . 1.0 113.59 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -136.37 172.24 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.716 0.293 . . . . 1.0 110.767 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 HD23 ' A' ' 28' ' ' LEU . 3.5 mm? -60.84 119.41 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.252 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.772 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.2 m-85 72.34 -4.1 2.12 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -71.0 69.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 1.0 111.575 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.41 -144.1 0.01 OUTLIER Glycine 0 N--CA 1.46 0.249 0 CA-C-N 115.627 -0.715 . . . . 1.0 113.58 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.22 91.86 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.804 0.335 . . . . 1.0 110.927 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.09 -176.22 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.338 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -95.69 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.729 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.5 t30 -70.01 -67.19 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.311 . . . . 1.0 111.38 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.74 25.83 0.04 OUTLIER 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.689 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 13' ' ' ASN . 13.2 t0 -38.51 -44.42 0.94 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.352 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 170.92 121.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.526 0.679 . . . . 1.0 111.507 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.2 m -48.45 167.15 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.809 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.06 105.46 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.145 0.497 . . . . 1.0 111.848 -179.479 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.49 -56.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.687 -0.565 . . . . 1.0 111.687 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CE2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -98.66 161.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.538 -0.331 . . . . 1.0 110.875 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.694 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.8 m -82.32 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.496 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.8 t -110.5 30.33 6.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 1.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -158.24 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.011 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 7.1 mt -43.43 -31.42 0.68 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.195 0.521 . . . . 1.0 110.34 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.04 172.14 13.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.41 178.813 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 m -89.5 57.7 4.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.947 -1.024 . . . . 1.0 108.786 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.57 148.3 45.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.488 -178.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.01 HD23 HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.44 161.87 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.473 0.654 . . . . 1.0 111.15 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 115.109 -0.951 . . . . 1.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.0 t70 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.551 0.215 . . . . 1.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.22 162.85 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.815 0.672 . . . . 1.0 112.815 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.83 169.66 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.632 -0.713 . . . . 1.0 113.97 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.3 mtpt -140.19 169.84 16.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.649 0.262 . . . . 1.0 110.554 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 28' ' ' LEU . 4.9 mt -43.29 98.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 75.15 -1.01 3.17 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -70.81 69.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 1.0 111.488 -179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.13 -145.8 0.01 OUTLIER Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.756 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.62 93.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 1.0 110.728 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.09 -175.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.41 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -67.97 -78.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.166 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 15' ' ' ASP . 22.3 t30 -70.07 -51.9 28.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.749 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.18 27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.843 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.9 t0 -57.58 55.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.595 0.758 . . . . 1.0 112.254 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 66.5 120.81 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.411 -0.813 . . . . 1.0 112.17 178.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -60.17 173.8 0.6 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.764 -1.107 . . . . 1.0 110.883 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.85 52.89 0.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.791 -0.641 . . . . 1.0 112.433 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.53 -68.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.75 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -82.13 157.53 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.35 . . . . 1.0 110.761 179.568 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.4 m -77.9 171.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.409 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 t -112.0 31.45 6.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.055 0.455 . . . . 1.0 111.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.27 -154.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.63 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.89 -30.23 1.66 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.149 0.5 . . . . 1.0 110.304 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.73 172.9 12.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.439 178.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.13 61.12 5.67 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 177.014 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -71.88 143.57 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.357 -1.292 . . . . 1.0 111.632 -178.414 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -70.07 163.18 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.783 178.736 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 3' ' ' CYS . 35.1 t0 . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.618 0.246 . . . . 1.0 110.814 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.2 p 42.37 -179.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.407 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.96 170.59 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.873 -0.603 . . . . 1.0 113.527 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.4 mtpt -141.16 168.63 19.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 1.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.757 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -48.33 107.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 1.0 111.693 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.8 m-85 73.19 -1.51 3.03 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -71.04 70.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 1.0 111.496 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.08 -143.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 CA-C-N 115.702 -0.681 . . . . 1.0 113.414 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.28 81.73 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.91 0.386 . . . . 1.0 110.756 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -70.06 175.98 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.516 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.438 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' A' ' 15' ' ' ASP . 35.4 t30 -54.79 -57.57 11.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.785 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.642 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.45 32.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.116 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.3 t70 -39.33 -4.78 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.472 1.286 . . . . 1.0 114.472 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.642 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 92.76 102.81 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.884 0.849 . . . . 1.0 111.497 179.021 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -45.97 166.73 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.081 -1.418 . . . . 1.0 111.388 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.26 114.33 8.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.937 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.8 -51.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.412 -0.675 . . . . 1.0 111.412 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.94 154.16 20.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.822 179.653 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HD3' ' A' ' 23' ' ' ARG . 34.7 m -70.62 -177.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.332 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 t -133.07 26.67 4.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.186 0.517 . . . . 1.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -70.54 -136.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.066 179.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.01 -25.41 29.98 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.93 0.395 . . . . 1.0 110.419 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -147.18 174.04 11.97 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.604 0.716 . . . . 1.0 111.153 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -91.11 59.09 3.91 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.568 -1.196 . . . . 1.0 108.252 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.97 145.28 48.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.655 -1.157 . . . . 1.0 111.882 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.25 160.95 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.531 0.681 . . . . 1.0 110.933 178.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.318 -0.8 0 CA-C-N 115.144 -0.935 . . . . 1.0 110.802 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.5 t70 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.6 0.238 . . . . 1.0 110.794 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.2 p 44.09 172.08 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.13 170.78 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.963 -0.562 . . . . 1.0 114.006 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 13.1 mtpp -142.02 172.58 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.627 -0.287 . . . . 1.0 110.502 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.911 HD21 HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -46.23 104.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.616 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.878 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 33.8 m-85 71.7 1.49 3.9 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.077 0.399 . . . . 1.0 112.077 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.88 68.52 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.944 0.402 . . . . 1.0 111.353 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.42 -145.78 0.01 OUTLIER Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.665 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -146.25 85.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.87 0.367 . . . . 1.0 110.931 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -70.06 176.4 3.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.275 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.4 t30 -56.32 -50.88 70.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.668 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.32 30.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.413 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.1 t0 -50.02 54.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.299 1.039 . . . . 1.0 112.984 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER 56.39 122.59 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.32 -0.855 . . . . 1.0 112.783 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 16.4 m -51.59 161.26 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.845 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.55 58.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -67.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.704 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.89 154.73 25.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 179.435 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 23' ' ' ARG . 28.7 m -70.13 -174.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.088 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.57 29.5 3.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.916 0.389 . . . . 1.0 111.64 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -70.4 -137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.936 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.3 mp -50.66 -31.52 16.52 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.171 0.51 . . . . 1.0 110.114 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.878 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.36 172.37 13.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.309 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -84.0 63.96 7.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.143 -1.058 . . . . 1.0 108.143 177.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 25' ' ' TRP . 4.7 tptt -71.61 146.35 48.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.64 -1.164 . . . . 1.0 112.29 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.911 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.31 159.2 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.276 0.56 . . . . 1.0 110.352 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 1.0 111.063 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 3' ' ' CYS . 21.8 t0 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.521 0.2 . . . . 1.0 110.81 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.56 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p 44.54 165.07 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.13 167.12 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.38 0 CA-C-N 115.405 -0.816 . . . . 1.0 113.995 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 6.7 mtpt -140.79 174.96 10.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 1.0 110.716 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 28' ' ' LEU . 4.1 mm? -46.24 96.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.524 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.926 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.8 m-85 74.14 4.4 4.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.962 0.356 . . . . 1.0 111.962 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.426 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 69.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 111.134 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.42 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.389 -0.823 . . . . 1.0 113.621 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 84.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.09 -171.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.316 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -82.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.248 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.4 t-20 -66.16 -65.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 1.0 112.047 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' ASN . 32.1 t70 -38.71 -52.89 1.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.806 0.299 . . . . 1.0 111.806 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 178.41 120.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.373 0.606 . . . . 1.0 111.016 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 170.71 0.52 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.096 -0.956 . . . . 1.0 111.531 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -70.68 59.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.507 -0.769 . . . . 1.0 112.22 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.17 -67.05 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.534 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.573 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.42 157.77 21.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.879 0.371 . . . . 1.0 110.82 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -80.4 -179.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.2 t -117.58 33.92 5.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.953 0.406 . . . . 1.0 111.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -70.1 -153.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.523 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.1 mt -47.42 -29.27 2.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.172 0.51 . . . . 1.0 110.219 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.926 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.48 171.12 14.57 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.361 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -83.12 64.02 7.45 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 107.446 -1.316 . . . . 1.0 107.446 176.664 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 136.97 48.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 1.0 112.481 -177.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.22 160.74 31.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.307 178.433 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.281 -0.872 . . . . 1.0 110.777 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 3' ' ' CYS . 18.2 t70 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.57 0.224 . . . . 1.0 110.797 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.09 170.75 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.623 0.601 . . . . 1.0 112.623 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -47.93 169.37 0.08 OUTLIER Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 115.955 -0.566 . . . . 1.0 113.739 -178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.779 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.2 mtpt -127.99 164.43 22.36 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.5 mt -42.62 105.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 6' ' ' LEU . 12.3 m-85 72.73 -3.36 2.4 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.4 m -70.54 72.25 0.5 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.754 0.311 . . . . 1.0 111.742 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.27 -145.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.69 -0.687 . . . . 1.0 113.816 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.49 93.73 2.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 1.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.11 175.3 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.0 p -67.24 -94.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.3 t-20 -57.26 -45.54 83.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.993 0.425 . . . . 1.0 110.476 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.738 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.38 29.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.502 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 m-20 -48.59 57.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.214 1.006 . . . . 1.0 112.637 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.738 ' N ' ' O ' ' A' ' 14' ' ' ALA . 3.7 m 58.63 126.87 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.045 -0.98 . . . . 1.0 112.467 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 57.9 m -51.4 167.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.152 -0.931 . . . . 1.0 111.283 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 9.58 0.74 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.64 -64.59 0.73 Allowed Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.192 -1.004 . . . . 1.0 111.934 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -81.33 167.13 19.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.577 0.227 . . . . 1.0 110.6 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -86.48 -167.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.282 . . . . 1.0 110.955 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -130.8 31.31 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.424 . . . . 1.0 111.242 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -70.38 -146.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.501 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.8 -26.47 5.74 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 121.102 0.477 . . . . 1.0 110.247 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.49 172.68 12.63 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.786 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.779 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -87.65 55.21 3.4 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.822 -1.177 . . . . 1.0 107.822 176.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -73.03 148.19 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.446 -1.252 . . . . 1.0 111.58 -178.626 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -55.15 155.85 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.689 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.424 -0.807 . . . . 1.0 111.285 -179.605 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 3' ' ' CYS . 36.0 t0 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.53 0.205 . . . . 1.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.553 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.7 165.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.774 0.657 . . . . 1.0 112.774 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.65 169.01 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.647 -0.706 . . . . 1.0 113.841 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 28.7 mtpt -141.71 171.16 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 1.0 110.89 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -44.63 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.828 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.56 0.55 3.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.892 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.74 69.29 0.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.894 0.378 . . . . 1.0 111.331 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.89 -145.59 0.01 OUTLIER Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.492 -0.776 . . . . 1.0 113.561 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.45 86.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.835 0.35 . . . . 1.0 110.8 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.0 -176.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.273 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 34.3 t30 -56.49 -53.74 53.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.13 28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.669 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -54.89 54.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.97 0.908 . . . . 1.0 112.489 -179.089 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.28 119.0 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 1.0 112.203 178.745 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 171.77 0.6 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.912 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.84 55.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.78 -0.645 . . . . 1.0 112.439 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.4 -0.905 . . . . 1.0 111.825 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -83.2 156.14 23.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 1.0 110.891 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.674 HG21 ' CD ' ' A' ' 23' ' ' ARG . 27.1 m -72.35 -179.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.264 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.4 t -127.93 29.07 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.992 0.425 . . . . 1.0 111.76 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.674 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.35 -139.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.773 178.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.8 mp -53.95 -25.78 22.29 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.006 0.432 . . . . 1.0 110.361 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.48 174.11 11.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.514 0.673 . . . . 1.0 110.898 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.04 60.07 4.22 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.908 -1.145 . . . . 1.0 107.908 177.043 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.97 145.71 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.51 -1.223 . . . . 1.0 111.6 -178.422 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -70.11 160.44 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 1.0 110.896 178.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.142 -0.936 . . . . 1.0 110.747 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.1 t70 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.571 0.224 . . . . 1.0 110.841 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.832 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.4 p 42.36 -179.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.337 0.589 . . . . 1.0 112.375 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -51.6 173.69 0.17 Allowed Glycine 0 N--CA 1.43 -1.71 0 CA-C-N 115.78 -0.646 . . . . 1.0 113.527 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -130.2 169.39 15.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.595 0.236 . . . . 1.0 110.696 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.77 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.57 118.87 7.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.49 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.77 ' CE2' HD22 ' A' ' 6' ' ' LEU . 18.5 m-85 72.88 -7.48 1.46 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.9 m -71.12 67.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 1.0 111.664 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.54 -143.37 0.01 OUTLIER Glycine 0 N--CA 1.461 0.315 0 CA-C-N 115.594 -0.73 . . . . 1.0 113.716 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -136.75 88.76 2.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.944 0.402 . . . . 1.0 110.733 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -70.18 -159.91 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.595 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -57.63 -158.16 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.12 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -41.28 -42.65 2.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.982 0.42 . . . . 1.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.832 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.43 27.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.282 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 13' ' ' ASN . 2.4 m-20 -38.46 -43.37 0.83 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.452 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER 172.14 124.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.0 111.866 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -48.66 170.59 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.03 -0.987 . . . . 1.0 110.765 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -70.17 106.95 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.0 111.9 -179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.85 -55.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.661 -0.575 . . . . 1.0 111.661 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -102.37 171.55 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.372 . . . . 1.0 110.892 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.0 m -96.39 174.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.583 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.0 t -106.8 30.96 5.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.293 0.568 . . . . 1.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.09 -160.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.608 -0.723 . . . . 1.0 110.176 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.9 mt -43.93 -31.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.201 0.524 . . . . 1.0 110.28 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.601 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.01 166.97 22.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.033 178.74 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -84.95 52.58 2.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.647 -0.706 . . . . 1.0 109.168 177.699 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.02 156.66 38.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.522 -179.249 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' CD1' HD21 ' A' ' 6' ' ' LEU . 11.0 mp -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.211 0.529 . . . . 1.0 110.386 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.065 -0.97 . . . . 1.0 111.371 -179.548 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' CYS . 20.7 t0 . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.565 0.221 . . . . 1.0 110.817 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.756 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 17.3 p 42.27 -178.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.942 -0.572 . . . . 1.0 112.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -49.37 173.11 0.06 OUTLIER Glycine 0 N--CA 1.431 -1.665 0 CA-C-N 115.764 -0.653 . . . . 1.0 113.553 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 4.1 mtpt -131.48 173.22 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.921 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.771 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.9 mm? -62.13 121.2 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.366 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.83 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.7 m-85 71.51 -4.44 1.86 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 111.965 0.357 . . . . 1.0 111.965 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLY . 2.1 m -70.8 69.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 1.0 111.54 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.55 -144.79 0.01 OUTLIER Glycine 0 N--CA 1.461 0.314 0 CA-C-N 115.58 -0.736 . . . . 1.0 113.66 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.89 91.79 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.831 0.348 . . . . 1.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.07 -173.71 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.62 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -70.59 -103.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.647 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 15' ' ' ASP . 32.3 t30 -68.46 -65.29 0.72 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.731 0.301 . . . . 1.0 111.172 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 24.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 13' ' ' ASN . 11.5 t0 -38.82 -44.93 1.09 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 173.9 121.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.41 0.624 . . . . 1.0 111.475 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -46.6 166.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.941 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.08 102.39 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 1.0 111.81 -179.493 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.79 -57.89 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.789 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -94.21 167.94 11.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 1.0 111.004 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.0 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.03 31.5 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 1.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -70.26 -154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.785 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.601 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -47.4 -28.87 2.28 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.034 0.445 . . . . 1.0 110.381 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.83 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.63 173.89 11.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.558 0.694 . . . . 1.0 110.882 179.294 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -88.79 55.61 3.43 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.671 -1.15 . . . . 1.0 108.378 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -72.87 144.23 47.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.968 -1.014 . . . . 1.0 111.579 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.771 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.97 158.01 20.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.292 0.568 . . . . 1.0 110.826 178.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.377 -0.829 . . . . 1.0 111.063 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.545 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.6 t0 . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.573 0.225 . . . . 1.0 110.853 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.545 ' O ' ' O ' ' A' ' 2' ' ' ASP . 4.2 p 44.1 168.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.81 0.67 . . . . 1.0 112.81 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.81 168.08 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.877 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 4.1 mtpp -141.42 173.08 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.861 0.362 . . . . 1.0 110.748 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 28' ' ' LEU . 3.1 mm? -46.08 96.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.714 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.912 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER 74.39 3.52 4.33 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.818 179.363 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.59 69.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.51 -145.59 0.01 OUTLIER Glycine 0 N--CA 1.459 0.2 0 CA-C-N 115.386 -0.825 . . . . 1.0 113.538 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.34 85.81 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.833 0.349 . . . . 1.0 110.912 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -70.1 -172.15 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.207 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -87.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.7 t-20 -62.07 -62.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.979 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' ASN . 26.2 t70 -38.41 -57.18 1.16 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 122.471 0.309 . . . . 1.0 111.759 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.72 119.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.46 0.648 . . . . 1.0 111.475 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.11 169.07 0.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.006 -0.997 . . . . 1.0 111.285 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.82 59.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 1.0 112.267 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.6 -67.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.541 -0.838 . . . . 1.0 111.737 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -84.49 158.25 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.815 0.34 . . . . 1.0 110.799 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.36 -176.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.1 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.3 t -136.54 27.92 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 1.0 111.334 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -114.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.112 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.68 -30.49 67.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.164 0.507 . . . . 1.0 109.997 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.912 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.29 175.22 10.26 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.768 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -92.94 53.95 2.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.887 -1.051 . . . . 1.0 108.27 177.002 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 1.7 tttt -72.96 147.89 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.245 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -55.56 156.26 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.222 0.535 . . . . 1.0 110.674 178.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.213 -179.599 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 3' ' ' CYS . 14.0 p-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.563 0.221 . . . . 1.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.9 p 44.37 169.58 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.635 0.605 . . . . 1.0 112.635 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 167.44 0.39 Allowed Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 121.139 -0.553 . . . . 1.0 113.859 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.0 mtpt -129.37 165.04 22.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.561 -0.32 . . . . 1.0 110.555 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.652 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -41.32 111.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.358 0.503 . . . . 1.0 112.358 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.9 m-85 68.27 -6.32 0.79 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.667 0.618 . . . . 1.0 112.667 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 3.3 m -70.91 73.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 1.0 111.633 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.17 -146.46 0.01 OUTLIER Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.923 -0.581 . . . . 1.0 113.596 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -156.38 89.89 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.806 0.336 . . . . 1.0 110.852 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.05 -177.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.199 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -86.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.101 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 26.0 t30 -55.21 -56.54 18.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 30.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -53.12 55.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.055 0.942 . . . . 1.0 112.457 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.5 m 59.5 122.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.199 -0.909 . . . . 1.0 112.265 178.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 27.1 m -46.16 162.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.139 -0.937 . . . . 1.0 111.014 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.5 59.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.27 -66.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.658 -0.782 . . . . 1.0 111.775 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.78 160.53 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.694 0.283 . . . . 1.0 110.513 179.466 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 m -78.6 170.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.02 30.46 6.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.533 . . . . 1.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -70.31 -156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.856 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -47.13 -28.84 1.95 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.88 173.91 11.07 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.569 0.699 . . . . 1.0 110.975 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.744 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -88.54 58.47 4.7 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.597 -1.183 . . . . 1.0 108.151 176.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.85 142.43 47.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.663 -1.153 . . . . 1.0 111.277 -178.811 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.652 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.41 157.36 17.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.378 0.609 . . . . 1.0 110.681 178.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.333 -0.849 . . . . 1.0 111.034 -179.739 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' CYS . 19.4 t70 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.588 0.232 . . . . 1.0 110.803 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.97 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 25.6 p 42.16 -174.55 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 112.204 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -40.57 171.3 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.748 -0.66 . . . . 1.0 114.229 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 16.7 mtpt -141.26 -169.75 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.317 -0.253 . . . . 1.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 28' ' ' LEU . 2.5 mt -70.63 103.34 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.764 -0.198 . . . . 1.0 111.231 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.1 m-85 74.36 2.9 4.23 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 111.922 0.342 . . . . 1.0 111.922 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -70.46 69.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 1.0 111.405 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 30.72 -147.41 0.01 OUTLIER Glycine 0 N--CA 1.461 0.339 0 CA-C-N 115.447 -0.797 . . . . 1.0 113.645 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 32.4 m -138.21 94.06 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.849 0.357 . . . . 1.0 110.724 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 5.5 m-20 -70.14 -177.22 1.33 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.607 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -95.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.982 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.0 t30 -69.49 -67.66 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.795 0.331 . . . . 1.0 111.277 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.97 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.59 24.93 0.04 OUTLIER 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.431 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 13' ' ' ASN . 34.5 t0 -38.41 -70.68 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.707 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 95.9 m -157.05 115.59 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.045 0.45 . . . . 1.0 111.415 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.4 m -52.52 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.793 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.13 86.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.7 -62.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.875 -0.679 . . . . 1.0 111.838 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -93.02 171.09 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.29 . . . . 1.0 110.869 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.28 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.65 29.47 4.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 1.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.55 -118.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.15 -24.33 63.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.037 0.446 . . . . 1.0 110.282 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.867 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -149.29 174.46 12.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.555 0.693 . . . . 1.0 110.958 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 11.6 t -90.8 50.23 1.77 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.819 -1.178 . . . . 1.0 107.819 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -72.59 145.69 47.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.034 -1.439 . . . . 1.0 112.095 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 6' ' ' LEU . 7.2 mp -63.31 157.78 22.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 1.0 110.692 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.349 -0.841 . . . . 1.0 110.935 -179.791 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.2 t70 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.638 0.256 . . . . 1.0 110.833 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.976 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.2 p 42.49 -178.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.951 -0.568 . . . . 1.0 112.41 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -41.83 169.57 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 114.002 -178.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 31.3 mtpt -141.75 -170.46 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 28' ' ' LEU . 2.6 mm? -70.31 102.18 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.158 -0.217 . . . . 1.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.71 2.98 4.17 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 m -70.45 70.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 1.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 31.84 -145.97 0.01 OUTLIER Glycine 0 N--CA 1.459 0.217 0 CA-C-N 115.409 -0.814 . . . . 1.0 113.537 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -142.64 96.61 2.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 1.0 111.117 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.11 -177.52 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.241 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -95.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.42 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -69.71 -64.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 111.065 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.976 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 23.09 0.04 OUTLIER 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.816 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.1 t0 -38.79 -65.6 0.35 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.64 -179.485 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 84.6 m -155.6 117.34 4.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.027 0.441 . . . . 1.0 111.499 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.99 174.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.992 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -70.31 61.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 1.0 112.039 -179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.85 -67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 1.0 111.669 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -88.86 162.05 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.64 0.257 . . . . 1.0 110.589 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -82.33 -166.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.05 -179.394 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' H ' HG12 ' A' ' 21' ' ' VAL . 46.7 t -136.29 28.53 3.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.145 0.498 . . . . 1.0 111.282 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD2' HG11 ' A' ' 21' ' ' VAL . 4.4 mtp180 -70.42 -140.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.637 . . . . 1.0 109.741 178.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -52.03 -26.78 11.61 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 1.0 110.15 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.37 175.04 10.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.626 0.727 . . . . 1.0 110.749 179.372 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.666 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.9 t -95.43 54.96 1.66 Allowed 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.61 -1.177 . . . . 1.0 108.216 177.372 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -73.01 147.67 44.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.96 -1.473 . . . . 1.0 111.883 -178.666 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.734 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -62.06 157.06 19.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 1.0 110.712 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.952 -179.887 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.84 0.352 . . . . 1.0 110.845 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p -53.92 169.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.591 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.6 167.81 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 115.666 -0.697 . . . . 1.0 114.256 -178.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 18.2 mtpt -140.97 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.504 -0.348 . . . . 1.0 110.424 179.345 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -44.82 96.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.677 -179.803 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.5 m-85 75.46 1.43 3.63 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 111.957 0.354 . . . . 1.0 111.957 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.77 71.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 1.0 111.565 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.57 -146.78 0.01 OUTLIER Glycine 0 N--CA 1.46 0.268 0 CA-C-N 115.689 -0.687 . . . . 1.0 113.751 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.16 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 1.0 110.768 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.08 -169.03 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.407 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.7 t-20 -64.76 -61.3 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.97 24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.837 179.458 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 13' ' ' ASN . 8.6 t0 -38.63 -55.72 1.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -176.52 123.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.355 0.598 . . . . 1.0 112.227 -179.862 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 23.4 m -49.7 159.8 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.07 -0.968 . . . . 1.0 110.947 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pm0 -70.58 58.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.959 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.0 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.7 -0.762 . . . . 1.0 111.652 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.83 172.24 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.706 0.289 . . . . 1.0 110.655 179.35 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.99 176.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.177 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -116.73 30.84 7.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 1.0 111.226 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -70.33 -151.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.605 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD12 ' H ' ' A' ' 24' ' ' LEU . 3.0 mp -48.27 -28.59 3.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.124 0.488 . . . . 1.0 110.211 179.037 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.865 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.09 172.94 12.1 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.569 179.235 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -92.07 53.81 2.25 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.76 -1.2 . . . . 1.0 107.76 176.614 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.52 146.37 46.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.596 -1.184 . . . . 1.0 111.665 -178.532 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 1.1 mp -59.84 157.83 11.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.539 . . . . 1.0 110.759 178.785 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.398 -0.819 . . . . 1.0 111.009 -179.821 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.845 0.355 . . . . 1.0 110.826 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.851 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.4 p -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.297 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.52 167.49 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 115.719 -0.673 . . . . 1.0 114.143 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.6 mtmm -140.75 169.24 18.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.822 0.344 . . . . 1.0 110.777 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 28' ' ' LEU . 4.5 mm? -45.39 104.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.894 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.943 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 8.2 m-85 70.05 4.04 4.63 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 69.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.38 -147.29 0.01 OUTLIER Glycine 0 CA--C 1.517 0.204 0 CA-C-N 115.366 -0.834 . . . . 1.0 113.621 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.1 78.26 1.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 1.0 110.594 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-20 -55.78 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.388 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.251 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 15' ' ' ASP . 23.4 t30 -70.15 -57.44 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 1.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.73 20.62 0.04 OUTLIER 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -38.89 -48.52 1.57 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.828 0.347 . . . . 1.0 111.141 -179.713 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 122.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 1.0 111.453 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.44 168.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.375 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.1 64.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.0 -65.0 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.363 -0.922 . . . . 1.0 112.864 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -87.02 -175.21 5.26 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 120.725 0.297 . . . . 1.0 110.914 -179.075 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -95.04 -164.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.154 179.197 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' H ' HG12 ' A' ' 21' ' ' VAL . 42.2 t -145.65 29.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.22 0.533 . . . . 1.0 111.023 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.76 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.056 179.278 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.5 mt -70.58 -21.11 62.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.98 0.419 . . . . 1.0 110.317 178.744 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.943 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -155.91 175.32 14.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.5 0.667 . . . . 1.0 111.159 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.85 68.33 7.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 176.359 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.4 107.11 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.86 -1.518 . . . . 1.0 111.95 -177.913 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -50.08 162.03 0.23 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.491 . . . . 1.0 110.753 179.464 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.739 -179.991 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.7 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.553 0.216 . . . . 1.0 111.035 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.835 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.2 p 43.64 172.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.695 0.628 . . . . 1.0 112.695 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.82 168.49 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 115.475 -0.784 . . . . 1.0 113.784 -178.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.5 mtpt -141.05 169.82 16.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.928 0.394 . . . . 1.0 111.056 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.03 100.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.905 -179.817 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.824 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 71.74 3.4 4.65 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.065 0.395 . . . . 1.0 112.065 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.65 67.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.996 0.427 . . . . 1.0 111.324 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 29.11 -146.62 0.01 OUTLIER Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.297 -0.865 . . . . 1.0 114.004 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.02 74.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 1.0 110.457 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.03 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.669 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 p -62.11 -142.27 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 31.2 t30 -42.52 -40.09 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.987 0.422 . . . . 1.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.98 23.62 0.04 OUTLIER 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.625 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 7.1 m-20 -38.69 -50.24 1.62 Allowed 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 122.73 0.412 . . . . 1.0 111.781 -179.022 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.03 122.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 1.0 111.78 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.17 169.77 0.16 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.966 -1.016 . . . . 1.0 111.329 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 60.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.379 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.23 -67.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.789 . . . . 1.0 111.551 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.533 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -90.19 153.17 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.788 0.328 . . . . 1.0 110.737 179.296 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HH11 ' A' ' 23' ' ' ARG . 34.3 m -73.43 -170.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 29.6 1.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 1.0 111.554 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.644 HH11 HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -70.28 -122.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.559 178.849 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.36 -23.37 62.48 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.143 0.497 . . . . 1.0 109.821 178.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.824 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -156.65 171.92 19.5 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.427 179.441 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -88.8 60.71 5.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 177.195 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.93 149.24 43.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.302 -1.317 . . . . 1.0 111.723 -178.819 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.86 ' CD1' HD11 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -70.22 162.6 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.528 0.68 . . . . 1.0 110.984 178.491 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.963 . . . . 1.0 110.741 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.802 0.334 . . . . 1.0 110.784 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.5 p -58.91 179.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.311 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -50.9 171.61 0.18 Allowed Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.896 -0.593 . . . . 1.0 113.665 -179.002 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -121.93 175.04 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 1.0 110.889 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.766 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -64.99 124.2 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.327 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.0 m-85 71.8 -7.19 1.3 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.3 m -70.82 70.45 0.48 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.694 0.283 . . . . 1.0 111.676 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 28.13 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.462 0.384 0 CA-C-N 115.753 -0.658 . . . . 1.0 113.578 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 m -134.1 96.77 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.865 0.364 . . . . 1.0 110.705 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.08 170.64 11.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.626 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -70.49 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.628 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.6 t-20 -70.19 -65.82 0.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.237 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.04 31.87 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.369 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 t0 -54.03 55.17 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.896 0.879 . . . . 1.0 112.082 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.1 m 60.59 123.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.123 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m -44.27 165.04 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.801 -1.09 . . . . 1.0 111.246 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.8 pt-20 -70.47 72.71 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 1.0 112.106 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.82 -67.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.622 -0.799 . . . . 1.0 111.804 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -77.69 165.15 24.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.686 0.279 . . . . 1.0 110.507 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -84.91 170.52 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.333 . . . . 1.0 111.308 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -106.68 31.21 5.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.262 0.553 . . . . 1.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -160.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.238 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -44.29 -30.2 0.78 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.105 0.478 . . . . 1.0 110.54 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.75 174.35 10.62 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.609 0.719 . . . . 1.0 110.903 179.135 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -86.78 58.42 5.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.561 -1.2 . . . . 1.0 108.505 176.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -73.01 140.95 47.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.303 -179.04 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.766 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.02 158.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.367 0.603 . . . . 1.0 110.995 178.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.252 -0.886 . . . . 1.0 111.055 -179.789 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.2 t0 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.591 0.234 . . . . 2.22 110.835 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.749 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 p 44.45 166.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.783 0.661 . . . . 0.63 112.783 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.51 168.67 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.424 0 CA-C-N 115.457 -0.792 . . . . 0.51 113.857 -178.782 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 22.5 mtpt -140.15 171.11 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.924 0.392 . . . . 2.32 110.93 179.481 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 28' ' ' LEU . 7.4 mt -47.91 100.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 1.57 111.516 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.907 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 75.89 1.87 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.362 -0.381 . . . . 1.08 111.967 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.46 69.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.946 0.403 . . . . 0.47 111.308 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.92 -146.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.395 -0.821 . . . . 0.37 113.87 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.09 88.01 1.78 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.85 110.663 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.04 -177.71 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 1.44 111.467 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.066 -0.516 . . . . 1.34 111.331 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 12.6 t-20 -67.84 -65.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 2.15 110.769 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.84 23.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 0.97 111.738 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 42.3 t0 -38.86 -54.53 1.62 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.152 0.427 . . . . 2.14 112.152 -179.071 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -174.77 122.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.362 0.601 . . . . 1.13 111.64 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 170.3 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.103 -0.953 . . . . 1.19 111.309 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -70.9 59.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.536 -0.756 . . . . 1.98 112.244 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.65 -67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.57 -0.824 . . . . 0.58 111.668 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.18 158.01 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.823 0.344 . . . . 1.68 110.743 179.471 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 20.8 m -78.72 -177.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.79 111.204 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.8 t -124.87 31.07 5.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.218 0.532 . . . . 0.81 111.06 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -70.35 -144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.781 -0.645 . . . . 3.12 109.505 178.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.95 -26.81 6.43 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.185 0.517 . . . . 0.84 110.149 178.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.907 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.568 -0.742 . . . . 0.86 110.705 179.416 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.95 57.8 3.23 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.785 -1.191 . . . . 0.76 107.785 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.16 144.39 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.471 -1.24 . . . . 1.92 111.53 -178.485 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.42 158.06 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.339 0.59 . . . . 1.19 110.914 179.013 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.363 -0.835 . . . . 1.23 111.032 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.857 0.361 . . . . 1.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' CYS . 34.9 t0 -65.73 -38.65 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.2 p 41.97 -174.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.026 -0.533 . . . . 1.0 112.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -54.02 170.67 1.04 Allowed Glycine 0 N--CA 1.429 -1.788 0 CA-C-N 116.042 -0.526 . . . . 1.0 113.587 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 176.96 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.802 0.334 . . . . 1.0 110.733 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.901 HD21 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -67.87 120.16 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.992 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 6' ' ' LEU . 25.1 m-85 73.36 -1.79 2.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.75 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -71.11 71.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 1.0 111.43 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 33.49 -147.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.748 -0.66 . . . . 1.0 113.354 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.86 80.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 1.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -70.1 160.06 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.238 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.04 -79.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 15' ' ' ASP . 27.0 t30 -64.13 -50.15 69.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.977 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -70.77 14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.532 0.567 . . . . 1.0 112.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' CYS . 35.5 t70 -39.15 66.92 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 123.871 0.868 . . . . 1.0 111.603 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.843 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.7 m 6.96 116.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.676 -1.602 . . . . 1.0 113.323 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -39.71 162.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.892 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.21 120.78 11.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.856 -0.611 . . . . 1.0 112.055 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.15 -53.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.76 178.26 4.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.219 -0.49 . . . . 1.0 110.383 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 29' ' ' ASP . 27.2 m -98.14 -176.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.651 0.262 . . . . 1.0 111.302 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.52 30.28 7.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.194 0.521 . . . . 1.0 110.989 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -70.42 -154.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.659 -0.7 . . . . 1.0 109.656 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' H ' HD12 ' A' ' 24' ' ' LEU . 1.7 mp -47.38 -29.56 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.153 0.501 . . . . 1.0 110.24 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.86 163.99 30.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.076 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.537 ' C ' ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -86.19 47.06 1.41 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.654 -0.869 . . . . 1.0 108.654 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.31 163.57 27.9 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.86 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.901 HD12 HD21 ' A' ' 6' ' ' LEU . 2.2 mp -51.49 163.62 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.294 0.568 . . . . 1.0 110.563 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 21' ' ' VAL . 4.3 t70 -56.86 76.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.219 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.508 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.218 -0.896 . . . . 1.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.668 0.271 . . . . 1.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 3' ' ' CYS . 27.9 t70 -65.8 -72.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.01 172.0 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.566 0.58 . . . . 1.0 112.566 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.28 170.05 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 116.021 -0.536 . . . . 1.0 113.944 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 24.1 mtpt -142.03 173.02 11.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.685 0.279 . . . . 1.0 110.495 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.685 HD11 HD13 ' A' ' 28' ' ' LEU . 3.5 mm? -44.58 98.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.756 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 9.2 m-85 74.09 1.29 3.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.101 0.408 . . . . 1.0 112.101 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.66 70.95 0.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 1.0 111.332 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.58 -147.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.524 -0.762 . . . . 1.0 113.588 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.36 82.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.888 0.375 . . . . 1.0 110.756 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.02 -179.6 1.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.329 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.205 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.5 t30 -54.04 -55.91 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.628 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.23 27.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.535 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.81 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.167 0.987 . . . . 1.0 112.799 -178.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.49 123.96 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.457 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 m -53.0 164.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.833 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.65 57.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.64 -67.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.563 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.4 164.93 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.689 0.281 . . . . 1.0 110.575 179.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -83.35 -166.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.852 -179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' H ' HG12 ' A' ' 21' ' ' VAL . 20.6 t -128.27 33.19 4.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.005 0.431 . . . . 1.0 111.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -70.19 -155.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.724 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.7 mt -46.46 -29.96 1.97 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.079 0.466 . . . . 1.0 110.296 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.57 170.61 15.69 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.425 178.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -81.82 64.41 6.51 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.521 -1.289 . . . . 1.0 107.521 176.724 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 30' ' ' TRP . 8.2 tttt -71.61 136.46 47.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.249 -1.341 . . . . 1.0 112.516 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.0 161.87 29.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.304 178.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.6 74.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.248 -0.887 . . . . 1.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.959 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.848 0.356 . . . . 1.0 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.7 p-10 -56.37 -44.75 80.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.915 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.8 p 42.48 -179.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.429 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.37 170.13 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.46 0 CA-C-N 115.781 -0.645 . . . . 1.0 113.885 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 8.6 mtmm -139.61 -165.25 1.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.997 -0.371 . . . . 1.0 109.997 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.918 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.7 mt -70.86 95.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.86 -0.155 . . . . 1.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.918 ' CE2' HD22 ' A' ' 6' ' ' LEU . 20.0 m-85 72.61 4.04 4.87 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 111.952 0.352 . . . . 1.0 111.952 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.8 m -70.5 69.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 1.0 111.546 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 29.97 -147.05 0.01 OUTLIER Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.495 -0.775 . . . . 1.0 113.843 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.24 92.66 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 1.0 110.95 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -70.08 -156.34 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.173 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p -57.67 -158.96 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 15' ' ' ASP . 29.7 t30 -40.78 -39.63 1.15 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 1.0 111.163 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.915 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.21 25.67 0.04 OUTLIER 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.609 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 m-20 -38.86 -60.67 0.82 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.636 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 91.0 m -155.27 119.33 4.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.967 0.413 . . . . 1.0 111.631 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.4 179.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.018 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.36 60.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 1.0 112.161 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.25 -67.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -92.28 165.75 12.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.604 -0.298 . . . . 1.0 110.465 179.288 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.8 m -92.73 179.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 1.0 111.389 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -114.45 29.99 7.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.214 0.531 . . . . 1.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -70.46 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 1.0 109.642 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.6 mt -48.34 -29.0 3.5 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.149 0.499 . . . . 1.0 110.222 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.56 168.56 19.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.287 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 8.4 t -89.11 47.51 1.5 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.458 -0.942 . . . . 1.0 108.458 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.21 163.61 27.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.37 -1.286 . . . . 1.0 111.821 -178.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 30' ' ' TRP . 8.0 mp -52.05 163.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.311 0.577 . . . . 1.0 110.477 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -56.62 76.23 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.051 -0.977 . . . . 1.0 111.221 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.517 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.726 0.298 . . . . 1.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.7 t70 -65.87 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p 43.9 172.61 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.76 170.65 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.483 0 CA-C-N 116.048 -0.524 . . . . 1.0 113.921 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 3.3 mtpt -139.96 172.49 12.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.687 0.279 . . . . 1.0 110.5 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -46.25 100.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.637 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.9 m-85 73.78 2.15 4.14 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 70.06 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.399 . . . . 1.0 111.407 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.15 -147.22 0.01 OUTLIER Glycine 0 N--CA 1.461 0.3 0 CA-C-N 115.501 -0.772 . . . . 1.0 113.82 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 m -144.45 84.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.32 . . . . 1.0 110.827 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.08 173.67 6.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.246 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -87.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.488 . . . . 1.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.9 t30 -54.76 -54.84 36.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.486 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.71 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 28.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.485 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.519 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.46 56.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.183 0.993 . . . . 1.0 112.77 -178.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.86 125.0 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.193 -0.912 . . . . 1.0 112.617 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 19.5 m -54.25 163.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.75 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.64 -0.791 . . . . 1.0 111.635 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.96 158.43 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.794 0.33 . . . . 1.0 110.679 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 m -78.67 -179.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.83 33.81 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.389 . . . . 1.0 111.267 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -70.14 -149.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.594 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.4 mt -48.31 -29.25 3.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.172 0.511 . . . . 1.0 110.133 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -142.44 171.24 14.32 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.406 178.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -82.59 64.17 7.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 176.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.34 136.74 47.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.303 -1.317 . . . . 1.0 112.537 -177.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.2 161.15 30.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.279 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -62.58 73.68 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.261 -0.876 . . . . 1.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.833 0.349 . . . . 1.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.3 t0 -65.75 -72.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.23 162.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.52 169.29 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.608 -0.724 . . . . 1.0 113.837 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 2.5 mtpt -140.6 169.5 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.0 110.667 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 28' ' ' LEU . 4.2 mt -43.23 97.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.995 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.6 m-85 75.31 -1.12 3.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.142 0.423 . . . . 1.0 112.142 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.5 m -70.83 70.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 1.0 111.368 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.65 -146.32 0.01 OUTLIER Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.642 -0.708 . . . . 1.0 113.463 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 88.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.837 0.351 . . . . 1.0 110.773 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.06 -175.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -85.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.211 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.2 t-20 -56.91 -54.74 43.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.17 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.696 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.09 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.891 0.876 . . . . 1.0 112.303 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 60.62 120.13 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.335 -0.848 . . . . 1.0 112.04 178.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 172.91 0.68 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.835 -1.075 . . . . 1.0 111.018 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.88 58.01 0.21 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.195 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.42 -67.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.518 -0.849 . . . . 1.0 111.692 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.507 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.03 158.55 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.767 0.317 . . . . 1.0 110.718 179.488 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -78.94 172.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.302 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.9 t -113.18 31.04 6.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.031 0.444 . . . . 1.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -70.37 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.773 -0.649 . . . . 1.0 109.656 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -47.74 -28.98 2.75 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.12 0.486 . . . . 1.0 110.224 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.892 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.93 174.33 10.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.663 179.13 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -92.36 57.8 3.08 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.849 -1.167 . . . . 1.0 107.849 176.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.436 -1.256 . . . . 1.0 111.491 -178.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.938 HD13 HD21 ' A' ' 6' ' ' LEU . 4.8 mp -61.08 156.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 1.0 110.658 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -67.69 71.03 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.477 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.237 -0.887 . . . . 1.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.3 t0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.816 0.341 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.0 p-10 -56.51 -44.11 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.079 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.3 p 44.67 163.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.55 0.69 . . . . 1.0 112.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.0 169.48 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.319 -0.855 . . . . 1.0 113.721 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 9.8 mtmm -140.02 170.71 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 1.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.702 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt -43.91 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.971 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.692 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 74.86 1.06 3.7 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.145 0.424 . . . . 1.0 112.145 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 2.5 m -70.78 68.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 1.0 111.365 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.64 -146.58 0.01 OUTLIER Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.725 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.58 87.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.917 0.389 . . . . 1.0 110.691 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -70.02 -158.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.176 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 13' ' ' ASN . 4.7 t -61.49 -131.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.866 0.365 . . . . 1.0 111.128 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.501 ' N ' ' OG1' ' A' ' 12' ' ' THR . 25.1 t30 -45.41 -41.03 8.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.723 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.09 19.71 0.05 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.824 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.2 m-20 -38.79 -49.49 1.62 Allowed 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.477 0.311 . . . . 1.0 111.797 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -179.53 123.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.363 0.601 . . . . 1.0 111.308 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 171.61 0.82 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 60.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.54 -0.755 . . . . 1.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.39 -66.89 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.552 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -87.45 165.49 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.595 -0.302 . . . . 1.0 110.575 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 28.0 m -87.04 175.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.337 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.44 30.88 6.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 1.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -70.37 -153.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 1.0 109.58 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.4 mt -47.93 -28.87 2.93 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.163 0.506 . . . . 1.0 110.216 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.692 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.04 167.64 21.6 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.527 -0.761 . . . . 1.0 110.215 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.87 52.8 2.38 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 177.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.76 155.76 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.946 -1.025 . . . . 1.0 111.494 -179.011 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 6' ' ' LEU . 6.1 mp -54.71 163.54 0.93 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.13 75.48 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.05 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.832 0.349 . . . . 1.0 111.222 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.5 t0 -65.73 -62.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 8.1 p 42.32 -178.18 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.955 -0.566 . . . . 1.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.34 168.79 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.384 0 CA-C-N 116.074 -0.512 . . . . 1.0 114.02 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 1.8 mtpt -123.76 -178.44 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 28' ' ' LEU . 2.4 mm? -69.97 113.51 7.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.539 0.209 . . . . 1.0 111.397 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.781 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.7 m-85 75.46 -6.9 1.89 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.933 0.345 . . . . 1.0 111.933 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.1 m -70.86 67.8 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.756 0.312 . . . . 1.0 111.656 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.55 -144.08 0.01 OUTLIER Glycine 0 N--CA 1.461 0.317 0 CA-C-N 115.573 -0.74 . . . . 1.0 113.797 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -137.49 97.68 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.864 0.364 . . . . 1.0 110.901 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.24 177.9 3.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.518 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -70.26 -81.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.413 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.1 t-20 -69.76 -59.21 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.683 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.1 29.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.426 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.5 t70 -54.93 53.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.922 0.889 . . . . 1.0 112.665 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' ALA . 86.7 m 57.86 115.3 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.562 -0.744 . . . . 1.0 112.544 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -48.93 167.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.751 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -70.5 62.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.42 -68.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.58 -0.819 . . . . 1.0 111.786 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.504 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -78.55 174.09 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.374 -0.232 . . . . 1.0 110.374 179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.0 m -91.54 170.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 t -108.95 30.83 6.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -70.33 -158.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.91 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.9 mp -46.63 -29.25 1.76 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.029 0.442 . . . . 1.0 110.473 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.781 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -137.25 171.1 14.99 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.798 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.668 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.8 t -88.71 55.07 3.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.597 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.46 147.74 43.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.317 -1.311 . . . . 1.0 111.928 -178.759 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.04 162.82 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 1.0 110.903 178.431 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.81 73.19 0.06 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.026 -0.988 . . . . 1.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.244 -0.884 . . . . 1.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.815 0.34 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.2 t0 -65.69 -72.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.807 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.69 165.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.5 168.87 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.369 0 CA-C-N 115.658 -0.701 . . . . 1.0 113.902 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.0 mtpt -141.93 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.814 0.34 . . . . 1.0 110.77 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 28' ' ' LEU . 4.0 mm? -44.52 97.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.868 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.856 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 11.1 m-85 74.04 1.57 3.93 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 1.0 111.95 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.78 68.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0 111.306 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.2 -145.88 0.01 OUTLIER Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.455 -0.793 . . . . 1.0 113.504 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.72 87.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.852 0.358 . . . . 1.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.02 -177.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.204 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.214 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 15' ' ' ASP . 4.6 t-20 -57.49 -53.64 55.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.19 28.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.691 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -54.91 54.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.952 0.901 . . . . 1.0 112.493 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.31 119.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.397 -0.819 . . . . 1.0 112.274 178.731 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.09 171.65 0.69 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.749 -1.114 . . . . 1.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.96 58.74 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.188 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.33 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.494 -0.86 . . . . 1.0 111.843 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.43 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.357 . . . . 1.0 110.854 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.68 HG21 ' CD ' ' A' ' 23' ' ' ARG . 30.1 m -72.56 -179.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.278 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.9 t -128.19 28.82 5.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 1.0 111.756 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.68 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.4 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.903 178.812 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.6 mp -53.42 -26.26 19.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.019 0.438 . . . . 1.0 110.394 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.856 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -146.07 173.49 12.14 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.464 0.65 . . . . 1.0 110.899 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -90.45 60.07 4.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.328 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.27 146.29 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.691 -1.14 . . . . 1.0 111.506 -178.616 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.05 162.54 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 1.0 110.881 178.772 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.01 72.75 0.07 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.247 -0.882 . . . . 1.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.813 0.339 . . . . 1.0 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.3 t0 -65.69 -43.18 89.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.789 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.844 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.3 p 42.29 -177.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.016 -0.538 . . . . 1.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -48.37 175.08 0.02 OUTLIER Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.846 -0.615 . . . . 1.0 113.59 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -136.37 172.24 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.716 0.293 . . . . 1.0 110.767 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 HD23 ' A' ' 28' ' ' LEU . 3.5 mm? -60.84 119.41 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.252 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.772 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.2 m-85 72.34 -4.1 2.12 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -71.0 69.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 1.0 111.575 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.41 -144.1 0.01 OUTLIER Glycine 0 N--CA 1.46 0.249 0 CA-C-N 115.627 -0.715 . . . . 1.0 113.58 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.22 91.86 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.804 0.335 . . . . 1.0 110.927 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.09 -176.22 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.338 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -95.69 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.729 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.5 t30 -70.01 -67.19 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.311 . . . . 1.0 111.38 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.74 25.83 0.04 OUTLIER 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.689 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 13' ' ' ASN . 13.2 t0 -38.51 -44.42 0.94 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.352 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 170.92 121.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.526 0.679 . . . . 1.0 111.507 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.2 m -48.45 167.15 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.809 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.06 105.46 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.145 0.497 . . . . 1.0 111.848 -179.479 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.49 -56.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.687 -0.565 . . . . 1.0 111.687 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CE2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -98.66 161.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.538 -0.331 . . . . 1.0 110.875 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.694 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.8 m -82.32 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.496 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.8 t -110.5 30.33 6.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 1.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -158.24 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.011 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 7.1 mt -43.43 -31.42 0.68 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.195 0.521 . . . . 1.0 110.34 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.04 172.14 13.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.41 178.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 m -89.5 57.7 4.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.947 -1.024 . . . . 1.0 108.786 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.57 148.3 45.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.488 -178.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.01 HD23 HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.44 161.87 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.473 0.654 . . . . 1.0 111.15 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.25 72.01 0.11 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.109 -0.951 . . . . 1.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.098 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.795 0.331 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.0 t70 -65.71 -58.16 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.22 162.85 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.815 0.672 . . . . 1.0 112.815 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.83 169.66 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.632 -0.713 . . . . 1.0 113.97 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.3 mtpt -140.19 169.84 16.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.649 0.262 . . . . 1.0 110.554 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 28' ' ' LEU . 4.9 mt -43.29 98.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 75.15 -1.01 3.17 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -70.81 69.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 1.0 111.488 -179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.13 -145.8 0.01 OUTLIER Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.756 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.62 93.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 1.0 110.728 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.09 -175.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.41 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -67.97 -78.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.166 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 15' ' ' ASP . 22.3 t30 -70.07 -51.9 28.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.749 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.18 27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.843 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.9 t0 -57.58 55.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.595 0.758 . . . . 1.0 112.254 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 66.5 120.81 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.411 -0.813 . . . . 1.0 112.17 178.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -60.17 173.8 0.6 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.764 -1.107 . . . . 1.0 110.883 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.85 52.89 0.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.791 -0.641 . . . . 1.0 112.433 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.53 -68.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.75 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -82.13 157.53 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.35 . . . . 1.0 110.761 179.568 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.4 m -77.9 171.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.409 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 t -112.0 31.45 6.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.055 0.455 . . . . 1.0 111.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.27 -154.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.63 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.89 -30.23 1.66 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.149 0.5 . . . . 1.0 110.304 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.73 172.9 12.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.439 178.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.13 61.12 5.67 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 177.014 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.88 143.57 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.357 -1.292 . . . . 1.0 111.632 -178.414 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -70.07 163.18 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.783 178.736 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -66.47 72.3 0.08 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.259 -0.877 . . . . 1.0 111.1 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.789 0.328 . . . . 1.0 111.191 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 3' ' ' CYS . 35.1 t0 -65.71 -40.79 92.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.814 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.2 p 42.37 -179.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.407 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.96 170.59 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.873 -0.603 . . . . 1.0 113.527 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.4 mtpt -141.16 168.63 19.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 1.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.757 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -48.33 107.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 1.0 111.693 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.8 m-85 73.19 -1.51 3.03 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -71.04 70.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 1.0 111.496 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.08 -143.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 CA-C-N 115.702 -0.681 . . . . 1.0 113.414 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.28 81.73 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.91 0.386 . . . . 1.0 110.756 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -70.06 175.98 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.516 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.438 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' A' ' 15' ' ' ASP . 35.4 t30 -54.79 -57.57 11.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.785 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.642 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.45 32.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.116 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.3 t70 -39.33 -4.78 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.472 1.286 . . . . 1.0 114.472 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.642 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 92.76 102.81 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.884 0.849 . . . . 1.0 111.497 179.021 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -45.97 166.73 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.081 -1.418 . . . . 1.0 111.388 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.26 114.33 8.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.937 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.8 -51.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.412 -0.675 . . . . 1.0 111.412 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.94 154.16 20.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.822 179.653 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HD3' ' A' ' 23' ' ' ARG . 34.7 m -70.62 -177.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.332 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 t -133.07 26.67 4.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.186 0.517 . . . . 1.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -70.54 -136.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.066 179.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.01 -25.41 29.98 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.93 0.395 . . . . 1.0 110.419 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -147.18 174.04 11.97 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.604 0.716 . . . . 1.0 111.153 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -91.11 59.09 3.91 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.568 -1.196 . . . . 1.0 108.252 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -71.97 145.28 48.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.655 -1.157 . . . . 1.0 111.882 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.25 160.95 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.531 0.681 . . . . 1.0 110.933 178.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -68.43 71.36 0.19 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.144 -0.935 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.887 . . . . 1.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.812 0.339 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.5 t70 -65.71 -71.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.2 p 44.09 172.08 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.13 170.78 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.963 -0.562 . . . . 1.0 114.006 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 13.1 mtpp -142.02 172.58 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.627 -0.287 . . . . 1.0 110.502 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.911 HD21 HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -46.23 104.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.616 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.878 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 33.8 m-85 71.7 1.49 3.9 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.077 0.399 . . . . 1.0 112.077 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.88 68.52 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.944 0.402 . . . . 1.0 111.353 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.42 -145.78 0.01 OUTLIER Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.665 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -146.25 85.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.87 0.367 . . . . 1.0 110.931 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -70.06 176.4 3.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.275 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.4 t30 -56.32 -50.88 70.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.668 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.32 30.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.413 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.1 t0 -50.02 54.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.299 1.039 . . . . 1.0 112.984 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER 56.39 122.59 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.32 -0.855 . . . . 1.0 112.783 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 16.4 m -51.59 161.26 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.845 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.55 58.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -67.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.704 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.89 154.73 25.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 179.435 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 23' ' ' ARG . 28.7 m -70.13 -174.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.088 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.57 29.5 3.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.916 0.389 . . . . 1.0 111.64 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -70.4 -137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.936 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.3 mp -50.66 -31.52 16.52 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.171 0.51 . . . . 1.0 110.114 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.878 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.36 172.37 13.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.309 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -84.0 63.96 7.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.143 -1.058 . . . . 1.0 108.143 177.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HG3' ' CE3' ' A' ' 30' ' ' TRP . 4.7 tptt -71.61 146.35 48.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.64 -1.164 . . . . 1.0 112.29 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.911 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.31 159.2 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.276 0.56 . . . . 1.0 110.352 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.09 74.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 1.0 111.063 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.512 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.24 -0.886 . . . . 1.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.87 0.367 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 3' ' ' CYS . 21.8 t0 -65.72 -47.4 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.81 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p 44.54 165.07 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.13 167.12 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.38 0 CA-C-N 115.405 -0.816 . . . . 1.0 113.995 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 6.7 mtpt -140.79 174.96 10.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 1.0 110.716 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 28' ' ' LEU . 4.1 mm? -46.24 96.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.524 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.926 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.8 m-85 74.14 4.4 4.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.962 0.356 . . . . 1.0 111.962 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.426 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 69.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 111.134 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.42 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.389 -0.823 . . . . 1.0 113.621 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 84.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.09 -171.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.316 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -82.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.248 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.4 t-20 -66.16 -65.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 1.0 112.047 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' ASN . 32.1 t70 -38.71 -52.89 1.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.806 0.299 . . . . 1.0 111.806 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 178.41 120.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.373 0.606 . . . . 1.0 111.016 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 170.71 0.52 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.096 -0.956 . . . . 1.0 111.531 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -70.68 59.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.507 -0.769 . . . . 1.0 112.22 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.17 -67.05 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.534 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.573 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.42 157.77 21.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.879 0.371 . . . . 1.0 110.82 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -80.4 -179.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.2 t -117.58 33.92 5.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.953 0.406 . . . . 1.0 111.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -70.1 -153.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.523 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.1 mt -47.42 -29.27 2.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.172 0.51 . . . . 1.0 110.219 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.926 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.48 171.12 14.57 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.361 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -83.12 64.02 7.45 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 107.446 -1.316 . . . . 1.0 107.446 176.664 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.11 136.97 48.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 1.0 112.481 -177.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.22 160.74 31.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.307 178.433 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 73.61 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.281 -0.872 . . . . 1.0 110.777 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.954 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.784 0.326 . . . . 1.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 3' ' ' CYS . 18.2 t70 -65.73 -72.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.797 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.09 170.75 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.623 0.601 . . . . 1.0 112.623 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -47.93 169.37 0.08 OUTLIER Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 115.955 -0.566 . . . . 1.0 113.739 -178.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.779 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.2 mtpt -127.99 164.43 22.36 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.5 mt -42.62 105.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 6' ' ' LEU . 12.3 m-85 72.73 -3.36 2.4 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.4 m -70.54 72.25 0.5 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.754 0.311 . . . . 1.0 111.742 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.27 -145.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.69 -0.687 . . . . 1.0 113.816 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.49 93.73 2.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 1.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.11 175.3 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.0 p -67.24 -94.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.3 t-20 -57.26 -45.54 83.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.993 0.425 . . . . 1.0 110.476 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.738 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.38 29.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.502 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 m-20 -48.59 57.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.214 1.006 . . . . 1.0 112.637 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.738 ' N ' ' O ' ' A' ' 14' ' ' ALA . 3.7 m 58.63 126.87 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.045 -0.98 . . . . 1.0 112.467 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 57.9 m -51.4 167.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.152 -0.931 . . . . 1.0 111.283 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 9.58 0.74 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.64 -64.59 0.73 Allowed Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.192 -1.004 . . . . 1.0 111.934 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -81.33 167.13 19.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.577 0.227 . . . . 1.0 110.6 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -86.48 -167.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.282 . . . . 1.0 110.955 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -130.8 31.31 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.424 . . . . 1.0 111.242 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -70.38 -146.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.501 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.8 -26.47 5.74 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 121.102 0.477 . . . . 1.0 110.247 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.49 172.68 12.63 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.786 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.779 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -87.65 55.21 3.4 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.822 -1.177 . . . . 1.0 107.822 176.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -73.03 148.19 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.446 -1.252 . . . . 1.0 111.58 -178.626 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -55.15 155.85 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.689 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.01 74.32 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.424 -0.807 . . . . 1.0 111.285 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.866 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.815 0.341 . . . . 1.0 111.2 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 3' ' ' CYS . 36.0 t0 -65.71 -54.65 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.553 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.7 165.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.774 0.657 . . . . 1.0 112.774 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.65 169.01 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.647 -0.706 . . . . 1.0 113.841 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 28.7 mtpt -141.71 171.16 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 1.0 110.89 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -44.63 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.828 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.56 0.55 3.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.892 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.74 69.29 0.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.894 0.378 . . . . 1.0 111.331 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.89 -145.59 0.01 OUTLIER Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.492 -0.776 . . . . 1.0 113.561 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.45 86.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.835 0.35 . . . . 1.0 110.8 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.0 -176.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.273 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 34.3 t30 -56.49 -53.74 53.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.13 28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.669 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -54.89 54.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.97 0.908 . . . . 1.0 112.489 -179.089 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.28 119.0 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 1.0 112.203 178.745 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 171.77 0.6 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.912 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.84 55.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.78 -0.645 . . . . 1.0 112.439 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.4 -0.905 . . . . 1.0 111.825 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -83.2 156.14 23.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 1.0 110.891 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG21 ' CD ' ' A' ' 23' ' ' ARG . 27.1 m -72.35 -179.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.264 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.4 t -127.93 29.07 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.992 0.425 . . . . 1.0 111.76 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.674 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.35 -139.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.773 178.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.8 mp -53.95 -25.78 22.29 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.006 0.432 . . . . 1.0 110.361 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.48 174.11 11.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.514 0.673 . . . . 1.0 110.898 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.04 60.07 4.22 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.908 -1.145 . . . . 1.0 107.908 177.043 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -71.97 145.71 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.51 -1.223 . . . . 1.0 111.6 -178.422 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -70.11 160.44 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 1.0 110.896 178.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 71.9 0.18 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.142 -0.936 . . . . 1.0 110.747 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.483 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.247 -0.882 . . . . 1.0 111.206 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.782 0.325 . . . . 1.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.1 t70 -65.71 -34.87 79.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.832 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.4 p 42.36 -179.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.337 0.589 . . . . 1.0 112.375 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -51.6 173.69 0.17 Allowed Glycine 0 N--CA 1.43 -1.71 0 CA-C-N 115.78 -0.646 . . . . 1.0 113.527 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -130.2 169.39 15.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.595 0.236 . . . . 1.0 110.696 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.77 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.57 118.87 7.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.49 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.77 ' CE2' HD22 ' A' ' 6' ' ' LEU . 18.5 m-85 72.88 -7.48 1.46 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.9 m -71.12 67.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 1.0 111.664 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.54 -143.37 0.01 OUTLIER Glycine 0 N--CA 1.461 0.315 0 CA-C-N 115.594 -0.73 . . . . 1.0 113.716 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -136.75 88.76 2.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.944 0.402 . . . . 1.0 110.733 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -70.18 -159.91 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.595 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -57.63 -158.16 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.12 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -41.28 -42.65 2.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.982 0.42 . . . . 1.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.832 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.43 27.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.282 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 13' ' ' ASN . 2.4 m-20 -38.46 -43.37 0.83 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.452 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER 172.14 124.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.0 111.866 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -48.66 170.59 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.03 -0.987 . . . . 1.0 110.765 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -70.17 106.95 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.0 111.9 -179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.85 -55.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.661 -0.575 . . . . 1.0 111.661 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -102.37 171.55 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.372 . . . . 1.0 110.892 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.0 m -96.39 174.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.583 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.0 t -106.8 30.96 5.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.293 0.568 . . . . 1.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.09 -160.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.608 -0.723 . . . . 1.0 110.176 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.9 mt -43.93 -31.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.201 0.524 . . . . 1.0 110.28 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.601 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.01 166.97 22.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.033 178.74 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -84.95 52.58 2.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.647 -0.706 . . . . 1.0 109.168 177.699 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.02 156.66 38.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.522 -179.249 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' CD1' HD21 ' A' ' 6' ' ' LEU . 11.0 mp -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.211 0.529 . . . . 1.0 110.386 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.1 76.38 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.065 -0.97 . . . . 1.0 111.371 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.848 0.356 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' CYS . 20.7 t0 -65.74 -33.03 74.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.817 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.756 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 17.3 p 42.27 -178.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.942 -0.572 . . . . 1.0 112.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -49.37 173.11 0.06 OUTLIER Glycine 0 N--CA 1.431 -1.665 0 CA-C-N 115.764 -0.653 . . . . 1.0 113.553 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 4.1 mtpt -131.48 173.22 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.921 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.771 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.9 mm? -62.13 121.2 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.366 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.83 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.7 m-85 71.51 -4.44 1.86 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 111.965 0.357 . . . . 1.0 111.965 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLY . 2.1 m -70.8 69.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 1.0 111.54 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.55 -144.79 0.01 OUTLIER Glycine 0 N--CA 1.461 0.314 0 CA-C-N 115.58 -0.736 . . . . 1.0 113.66 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.89 91.79 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.831 0.348 . . . . 1.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.07 -173.71 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.62 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -70.59 -103.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.647 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 15' ' ' ASP . 32.3 t30 -68.46 -65.29 0.72 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.731 0.301 . . . . 1.0 111.172 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 24.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 13' ' ' ASN . 11.5 t0 -38.82 -44.93 1.09 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 173.9 121.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.41 0.624 . . . . 1.0 111.475 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -46.6 166.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.941 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.08 102.39 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 1.0 111.81 -179.493 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.79 -57.89 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.789 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -94.21 167.94 11.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 1.0 111.004 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.0 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.03 31.5 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 1.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -70.26 -154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.785 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.601 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -47.4 -28.87 2.28 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.034 0.445 . . . . 1.0 110.381 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.83 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.63 173.89 11.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.558 0.694 . . . . 1.0 110.882 179.294 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -88.79 55.61 3.43 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.671 -1.15 . . . . 1.0 108.378 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -72.87 144.23 47.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.968 -1.014 . . . . 1.0 111.579 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.771 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.97 158.01 20.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.292 0.568 . . . . 1.0 110.826 178.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.8 71.72 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.377 -0.829 . . . . 1.0 111.063 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.189 -0.91 . . . . 1.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.811 0.338 . . . . 1.0 111.157 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.545 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.6 t0 -65.64 -54.99 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' O ' ' O ' ' A' ' 2' ' ' ASP . 4.2 p 44.1 168.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.81 0.67 . . . . 1.0 112.81 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.81 168.08 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.877 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 4.1 mtpp -141.42 173.08 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.861 0.362 . . . . 1.0 110.748 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 28' ' ' LEU . 3.1 mm? -46.08 96.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.714 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.912 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER 74.39 3.52 4.33 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.818 179.363 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.59 69.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.51 -145.59 0.01 OUTLIER Glycine 0 N--CA 1.459 0.2 0 CA-C-N 115.386 -0.825 . . . . 1.0 113.538 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.34 85.81 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.833 0.349 . . . . 1.0 110.912 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -70.1 -172.15 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.207 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -87.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.7 t-20 -62.07 -62.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.979 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' ASN . 26.2 t70 -38.41 -57.18 1.16 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 122.471 0.309 . . . . 1.0 111.759 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.72 119.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.46 0.648 . . . . 1.0 111.475 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.11 169.07 0.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.006 -0.997 . . . . 1.0 111.285 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.82 59.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 1.0 112.267 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.6 -67.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.541 -0.838 . . . . 1.0 111.737 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -84.49 158.25 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.815 0.34 . . . . 1.0 110.799 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.36 -176.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.1 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.3 t -136.54 27.92 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 1.0 111.334 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -114.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.112 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.68 -30.49 67.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.164 0.507 . . . . 1.0 109.997 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.912 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.29 175.22 10.26 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.768 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -92.94 53.95 2.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.887 -1.051 . . . . 1.0 108.27 177.002 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 1.7 tttt -72.96 147.89 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.245 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -55.56 156.26 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.222 0.535 . . . . 1.0 110.674 178.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.69 74.34 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.213 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.457 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.285 -0.864 . . . . 1.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.802 0.334 . . . . 1.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 3' ' ' CYS . 14.0 p-10 -56.49 -42.25 77.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.9 p 44.37 169.58 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.635 0.605 . . . . 1.0 112.635 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 167.44 0.39 Allowed Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 121.139 -0.553 . . . . 1.0 113.859 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.0 mtpt -129.37 165.04 22.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.561 -0.32 . . . . 1.0 110.555 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.652 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -41.32 111.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.358 0.503 . . . . 1.0 112.358 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.9 m-85 68.27 -6.32 0.79 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.667 0.618 . . . . 1.0 112.667 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 3.3 m -70.91 73.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 1.0 111.633 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.17 -146.46 0.01 OUTLIER Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.923 -0.581 . . . . 1.0 113.596 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -156.38 89.89 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.806 0.336 . . . . 1.0 110.852 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.05 -177.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.199 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -86.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.101 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 26.0 t30 -55.21 -56.54 18.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 30.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -53.12 55.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.055 0.942 . . . . 1.0 112.457 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.5 m 59.5 122.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.199 -0.909 . . . . 1.0 112.265 178.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 27.1 m -46.16 162.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.139 -0.937 . . . . 1.0 111.014 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.5 59.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.27 -66.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.658 -0.782 . . . . 1.0 111.775 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.78 160.53 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.694 0.283 . . . . 1.0 110.513 179.466 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 m -78.6 170.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.02 30.46 6.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.533 . . . . 1.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -70.31 -156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.856 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -47.13 -28.84 1.95 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.88 173.91 11.07 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.569 0.699 . . . . 1.0 110.975 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.744 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -88.54 58.47 4.7 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.597 -1.183 . . . . 1.0 108.151 176.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.85 142.43 47.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.663 -1.153 . . . . 1.0 111.277 -178.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.652 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.41 157.36 17.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.378 0.609 . . . . 1.0 110.681 178.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -67.46 71.24 0.12 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.333 -0.849 . . . . 1.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.5 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.21 -0.9 . . . . 1.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.825 0.345 . . . . 1.0 111.249 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' CYS . 19.4 t70 -65.73 -56.75 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.97 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 25.6 p 42.16 -174.55 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 112.204 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -40.57 171.3 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.748 -0.66 . . . . 1.0 114.229 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 16.7 mtpt -141.26 -169.75 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.317 -0.253 . . . . 1.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 28' ' ' LEU . 2.5 mt -70.63 103.34 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.764 -0.198 . . . . 1.0 111.231 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.1 m-85 74.36 2.9 4.23 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 111.922 0.342 . . . . 1.0 111.922 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -70.46 69.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 1.0 111.405 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 30.72 -147.41 0.01 OUTLIER Glycine 0 N--CA 1.461 0.339 0 CA-C-N 115.447 -0.797 . . . . 1.0 113.645 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 32.4 m -138.21 94.06 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.849 0.357 . . . . 1.0 110.724 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 5.5 m-20 -70.14 -177.22 1.33 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.607 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -95.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.982 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.0 t30 -69.49 -67.66 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.795 0.331 . . . . 1.0 111.277 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.97 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.59 24.93 0.04 OUTLIER 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.431 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 13' ' ' ASN . 34.5 t0 -38.41 -70.68 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.707 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 95.9 m -157.05 115.59 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.045 0.45 . . . . 1.0 111.415 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.4 m -52.52 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.793 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.13 86.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.7 -62.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.875 -0.679 . . . . 1.0 111.838 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -93.02 171.09 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.29 . . . . 1.0 110.869 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.28 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.65 29.47 4.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 1.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.55 -118.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.15 -24.33 63.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.037 0.446 . . . . 1.0 110.282 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.867 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -149.29 174.46 12.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.555 0.693 . . . . 1.0 110.958 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 11.6 t -90.8 50.23 1.77 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.819 -1.178 . . . . 1.0 107.819 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -72.59 145.69 47.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.034 -1.439 . . . . 1.0 112.095 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 6' ' ' LEU . 7.2 mp -63.31 157.78 22.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 1.0 110.692 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.55 72.03 0.08 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.349 -0.841 . . . . 1.0 110.935 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.472 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.284 -0.865 . . . . 1.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.825 0.345 . . . . 1.0 111.24 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.2 t70 -65.69 -34.0 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.976 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.2 p 42.49 -178.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.951 -0.568 . . . . 1.0 112.41 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -41.83 169.57 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 114.002 -178.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 31.3 mtpt -141.75 -170.46 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 28' ' ' LEU . 2.6 mm? -70.31 102.18 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.158 -0.217 . . . . 1.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.71 2.98 4.17 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 m -70.45 70.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 1.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 31.84 -145.97 0.01 OUTLIER Glycine 0 N--CA 1.459 0.217 0 CA-C-N 115.409 -0.814 . . . . 1.0 113.537 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -142.64 96.61 2.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 1.0 111.117 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.11 -177.52 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.241 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -95.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.42 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -69.71 -64.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 111.065 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.976 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 23.09 0.04 OUTLIER 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.816 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.1 t0 -38.79 -65.6 0.35 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.64 -179.485 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 84.6 m -155.6 117.34 4.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.027 0.441 . . . . 1.0 111.499 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.99 174.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.992 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -70.31 61.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 1.0 112.039 -179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.85 -67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 1.0 111.669 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -88.86 162.05 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.64 0.257 . . . . 1.0 110.589 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -82.33 -166.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.05 -179.394 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' H ' HG12 ' A' ' 21' ' ' VAL . 46.7 t -136.29 28.53 3.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.145 0.498 . . . . 1.0 111.282 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD2' HG11 ' A' ' 21' ' ' VAL . 4.4 mtp180 -70.42 -140.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.637 . . . . 1.0 109.741 178.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -52.03 -26.78 11.61 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 1.0 110.15 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.37 175.04 10.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.626 0.727 . . . . 1.0 110.749 179.372 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.666 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.9 t -95.43 54.96 1.66 Allowed 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.61 -1.177 . . . . 1.0 108.216 177.372 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -73.01 147.67 44.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.96 -1.473 . . . . 1.0 111.883 -178.666 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.734 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -62.06 157.06 19.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 1.0 110.712 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.33 71.43 0.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.837 0.351 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.7 -31.82 73.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p -53.92 169.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.591 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.6 167.81 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 115.666 -0.697 . . . . 1.0 114.256 -178.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 18.2 mtpt -140.97 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.504 -0.348 . . . . 1.0 110.424 179.345 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -44.82 96.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.677 -179.803 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.5 m-85 75.46 1.43 3.63 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 111.957 0.354 . . . . 1.0 111.957 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.77 71.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 1.0 111.565 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.57 -146.78 0.01 OUTLIER Glycine 0 N--CA 1.46 0.268 0 CA-C-N 115.689 -0.687 . . . . 1.0 113.751 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.16 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 1.0 110.768 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.08 -169.03 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.407 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.7 t-20 -64.76 -61.3 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.97 24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.837 179.458 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 13' ' ' ASN . 8.6 t0 -38.63 -55.72 1.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -176.52 123.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.355 0.598 . . . . 1.0 112.227 -179.862 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 23.4 m -49.7 159.8 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.07 -0.968 . . . . 1.0 110.947 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pm0 -70.58 58.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.959 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.0 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.7 -0.762 . . . . 1.0 111.652 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.83 172.24 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.706 0.289 . . . . 1.0 110.655 179.35 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.99 176.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.177 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -116.73 30.84 7.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 1.0 111.226 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -70.33 -151.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.605 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -48.27 -28.59 3.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.124 0.488 . . . . 1.0 110.211 179.037 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.865 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.09 172.94 12.1 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.569 179.235 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -92.07 53.81 2.25 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.76 -1.2 . . . . 1.0 107.76 176.614 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -72.52 146.37 46.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.596 -1.184 . . . . 1.0 111.665 -178.532 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 1.1 mp -59.84 157.83 11.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.539 . . . . 1.0 110.759 178.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.51 72.92 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.398 -0.819 . . . . 1.0 111.009 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.495 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.232 -0.89 . . . . 1.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.838 0.351 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.66 121.39 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.851 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.4 p -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.297 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.52 167.49 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 115.719 -0.673 . . . . 1.0 114.143 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.6 mtmm -140.75 169.24 18.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.822 0.344 . . . . 1.0 110.777 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 28' ' ' LEU . 4.5 mm? -45.39 104.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.894 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.943 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 8.2 m-85 70.05 4.04 4.63 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 69.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.38 -147.29 0.01 OUTLIER Glycine 0 CA--C 1.517 0.204 0 CA-C-N 115.366 -0.834 . . . . 1.0 113.621 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.1 78.26 1.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 1.0 110.594 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-20 -55.78 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.388 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.251 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 15' ' ' ASP . 23.4 t30 -70.15 -57.44 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 1.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.73 20.62 0.04 OUTLIER 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -38.89 -48.52 1.57 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.828 0.347 . . . . 1.0 111.141 -179.713 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 122.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 1.0 111.453 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.44 168.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.375 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.1 64.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.0 -65.0 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.363 -0.922 . . . . 1.0 112.864 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -87.02 -175.21 5.26 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 120.725 0.297 . . . . 1.0 110.914 -179.075 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -95.04 -164.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.154 179.197 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' H ' HG12 ' A' ' 21' ' ' VAL . 42.2 t -145.65 29.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.22 0.533 . . . . 1.0 111.023 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.76 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.056 179.278 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.5 mt -70.58 -21.11 62.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.98 0.419 . . . . 1.0 110.317 178.744 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.943 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -155.91 175.32 14.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.5 0.667 . . . . 1.0 111.159 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.85 68.33 7.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 176.359 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.4 107.11 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.86 -1.518 . . . . 1.0 111.95 -177.913 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -50.08 162.03 0.23 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.491 . . . . 1.0 110.753 179.464 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.61 74.31 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.96 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.772 0.32 . . . . 1.0 111.155 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.7 p-10 -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.835 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.2 p 43.64 172.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.695 0.628 . . . . 1.0 112.695 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.82 168.49 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 115.475 -0.784 . . . . 1.0 113.784 -178.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.5 mtpt -141.05 169.82 16.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.928 0.394 . . . . 1.0 111.056 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.03 100.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.905 -179.817 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.824 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 71.74 3.4 4.65 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.065 0.395 . . . . 1.0 112.065 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.65 67.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.996 0.427 . . . . 1.0 111.324 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 29.11 -146.62 0.01 OUTLIER Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.297 -0.865 . . . . 1.0 114.004 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.02 74.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 1.0 110.457 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.03 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.669 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 p -62.11 -142.27 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 31.2 t30 -42.52 -40.09 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.987 0.422 . . . . 1.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.98 23.62 0.04 OUTLIER 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.625 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 7.1 m-20 -38.69 -50.24 1.62 Allowed 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 122.73 0.412 . . . . 1.0 111.781 -179.022 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.03 122.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 1.0 111.78 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.17 169.77 0.16 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.966 -1.016 . . . . 1.0 111.329 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 60.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.379 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.23 -67.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.789 . . . . 1.0 111.551 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -90.19 153.17 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.788 0.328 . . . . 1.0 110.737 179.296 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HH11 ' A' ' 23' ' ' ARG . 34.3 m -73.43 -170.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 29.6 1.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 1.0 111.554 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.644 HH11 HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -70.28 -122.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.559 178.849 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.36 -23.37 62.48 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.143 0.497 . . . . 1.0 109.821 178.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.824 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -156.65 171.92 19.5 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.427 179.441 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -88.8 60.71 5.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 177.195 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.93 149.24 43.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.302 -1.317 . . . . 1.0 111.723 -178.819 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.86 ' CD1' HD11 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -70.22 162.6 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.528 0.68 . . . . 1.0 110.984 178.491 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.82 72.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.963 . . . . 1.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.241 -0.885 . . . . 1.0 111.049 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 1.0 111.184 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.74 81.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.5 p -58.91 179.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.311 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -50.9 171.61 0.18 Allowed Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.896 -0.593 . . . . 1.0 113.665 -179.002 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -121.93 175.04 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 1.0 110.889 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.766 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -64.99 124.2 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.327 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.0 m-85 71.8 -7.19 1.3 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.3 m -70.82 70.45 0.48 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.694 0.283 . . . . 1.0 111.676 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 28.13 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.462 0.384 0 CA-C-N 115.753 -0.658 . . . . 1.0 113.578 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 m -134.1 96.77 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.865 0.364 . . . . 1.0 110.705 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.08 170.64 11.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.626 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -70.49 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.628 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.6 t-20 -70.19 -65.82 0.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.237 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.04 31.87 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.369 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 t0 -54.03 55.17 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.896 0.879 . . . . 1.0 112.082 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.1 m 60.59 123.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.123 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m -44.27 165.04 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.801 -1.09 . . . . 1.0 111.246 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.8 pt-20 -70.47 72.71 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 1.0 112.106 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.82 -67.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.622 -0.799 . . . . 1.0 111.804 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -77.69 165.15 24.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.686 0.279 . . . . 1.0 110.507 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -84.91 170.52 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.333 . . . . 1.0 111.308 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -106.68 31.21 5.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.262 0.553 . . . . 1.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -160.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.238 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -44.29 -30.2 0.78 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.105 0.478 . . . . 1.0 110.54 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.75 174.35 10.62 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.609 0.719 . . . . 1.0 110.903 179.135 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -86.78 58.42 5.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.561 -1.2 . . . . 1.0 108.505 176.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -73.01 140.95 47.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.303 -179.04 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.766 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.02 158.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.367 0.603 . . . . 1.0 110.995 178.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -64.12 74.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.252 -0.886 . . . . 1.0 111.055 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.507 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.264 -0.874 . . . . 1.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.794 0.33 . . . . 2.49 111.2 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.2 t0 -65.89 -51.87 54.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 2.22 110.835 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.749 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 p 44.45 166.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.783 0.661 . . . . 0.63 112.783 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.51 168.67 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.424 0 CA-C-N 115.457 -0.792 . . . . 0.51 113.857 -178.782 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 22.5 mtpt -140.15 171.11 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.924 0.392 . . . . 2.32 110.93 179.481 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 28' ' ' LEU . 7.4 mt -47.91 100.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 1.57 111.516 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.907 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 75.89 1.87 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.362 -0.381 . . . . 1.08 111.967 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.46 69.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.946 0.403 . . . . 0.47 111.308 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.92 -146.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.395 -0.821 . . . . 0.37 113.87 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.09 88.01 1.78 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.85 110.663 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.04 -177.71 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 1.44 111.467 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.066 -0.516 . . . . 1.34 111.331 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 12.6 t-20 -67.84 -65.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 2.15 110.769 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.84 23.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 0.97 111.738 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 42.3 t0 -38.86 -54.53 1.62 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.152 0.427 . . . . 2.14 112.152 -179.071 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -174.77 122.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.362 0.601 . . . . 1.13 111.64 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 170.3 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.103 -0.953 . . . . 1.19 111.309 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -70.9 59.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.536 -0.756 . . . . 1.98 112.244 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.65 -67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.57 -0.824 . . . . 0.58 111.668 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.18 158.01 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.823 0.344 . . . . 1.68 110.743 179.471 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 20.8 m -78.72 -177.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.79 111.204 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.8 t -124.87 31.07 5.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.218 0.532 . . . . 0.81 111.06 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -70.35 -144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.781 -0.645 . . . . 3.12 109.505 178.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.95 -26.81 6.43 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.185 0.517 . . . . 0.84 110.149 178.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.907 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.568 -0.742 . . . . 0.86 110.705 179.416 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.95 57.8 3.23 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.785 -1.191 . . . . 0.76 107.785 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -72.16 144.39 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.471 -1.24 . . . . 1.92 111.53 -178.485 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.42 158.06 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.339 0.59 . . . . 1.19 110.914 179.013 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -64.83 73.55 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.363 -0.835 . . . . 1.23 111.032 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 1.85 110.94 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' CYS . 34.9 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.616 0.246 . . . . 1.0 110.803 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.2 p 41.97 -174.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.026 -0.533 . . . . 1.0 112.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -54.02 170.67 1.04 Allowed Glycine 0 N--CA 1.429 -1.788 0 CA-C-N 116.042 -0.526 . . . . 1.0 113.587 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 176.96 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.802 0.334 . . . . 1.0 110.733 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.901 HD21 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -67.87 120.16 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.992 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 6' ' ' LEU . 25.1 m-85 73.36 -1.79 2.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.75 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -71.11 71.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 1.0 111.43 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 33.49 -147.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.748 -0.66 . . . . 1.0 113.354 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.86 80.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 1.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -70.1 160.06 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.238 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.04 -79.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 15' ' ' ASP . 27.0 t30 -64.13 -50.15 69.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.977 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -70.77 14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.532 0.567 . . . . 1.0 112.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' CYS . 35.5 t70 -39.15 66.92 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 123.871 0.868 . . . . 1.0 111.603 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.843 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.7 m 6.96 116.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.676 -1.602 . . . . 1.0 113.323 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -39.71 162.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.892 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.21 120.78 11.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.856 -0.611 . . . . 1.0 112.055 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.15 -53.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.76 178.26 4.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.219 -0.49 . . . . 1.0 110.383 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 29' ' ' ASP . 27.2 m -98.14 -176.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.651 0.262 . . . . 1.0 111.302 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.52 30.28 7.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.194 0.521 . . . . 1.0 110.989 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -70.42 -154.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.659 -0.7 . . . . 1.0 109.656 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' H ' HD12 ' A' ' 24' ' ' LEU . 1.7 mp -47.38 -29.56 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.153 0.501 . . . . 1.0 110.24 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.86 163.99 30.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.076 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.537 ' C ' ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -86.19 47.06 1.41 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.654 -0.869 . . . . 1.0 108.654 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.31 163.57 27.9 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.86 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.901 HD12 HD21 ' A' ' 6' ' ' LEU . 2.2 mp -51.49 163.62 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.294 0.568 . . . . 1.0 110.563 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 21' ' ' VAL . 4.3 t70 . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.219 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 3' ' ' CYS . 27.9 t70 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.608 0.242 . . . . 1.0 110.796 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.01 172.0 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.566 0.58 . . . . 1.0 112.566 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.28 170.05 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 116.021 -0.536 . . . . 1.0 113.944 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 24.1 mtpt -142.03 173.02 11.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.685 0.279 . . . . 1.0 110.495 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.685 HD11 HD13 ' A' ' 28' ' ' LEU . 3.5 mm? -44.58 98.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.756 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 9.2 m-85 74.09 1.29 3.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.101 0.408 . . . . 1.0 112.101 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.66 70.95 0.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 1.0 111.332 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.58 -147.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.524 -0.762 . . . . 1.0 113.588 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.36 82.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.888 0.375 . . . . 1.0 110.756 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.02 -179.6 1.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.329 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.205 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.5 t30 -54.04 -55.91 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.628 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.23 27.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.535 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.81 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.167 0.987 . . . . 1.0 112.799 -178.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.49 123.96 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.457 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 m -53.0 164.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.833 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.65 57.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.64 -67.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.563 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.4 164.93 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.689 0.281 . . . . 1.0 110.575 179.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -83.35 -166.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.852 -179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' H ' HG12 ' A' ' 21' ' ' VAL . 20.6 t -128.27 33.19 4.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.005 0.431 . . . . 1.0 111.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -70.19 -155.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.724 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.7 mt -46.46 -29.96 1.97 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.079 0.466 . . . . 1.0 110.296 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.57 170.61 15.69 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.425 178.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -81.82 64.41 6.51 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.521 -1.289 . . . . 1.0 107.521 176.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 8.2 tttt -71.61 136.46 47.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.249 -1.341 . . . . 1.0 112.516 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.0 161.87 29.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.304 178.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.248 -0.887 . . . . 1.0 110.865 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.7 p-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.638 0.256 . . . . 1.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.915 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.8 p 42.48 -179.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.429 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.37 170.13 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.46 0 CA-C-N 115.781 -0.645 . . . . 1.0 113.885 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 8.6 mtmm -139.61 -165.25 1.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.997 -0.371 . . . . 1.0 109.997 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.918 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.7 mt -70.86 95.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.86 -0.155 . . . . 1.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.918 ' CE2' HD22 ' A' ' 6' ' ' LEU . 20.0 m-85 72.61 4.04 4.87 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 111.952 0.352 . . . . 1.0 111.952 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.8 m -70.5 69.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 1.0 111.546 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 29.97 -147.05 0.01 OUTLIER Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.495 -0.775 . . . . 1.0 113.843 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.24 92.66 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 1.0 110.95 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -70.08 -156.34 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.173 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p -57.67 -158.96 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 15' ' ' ASP . 29.7 t30 -40.78 -39.63 1.15 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 1.0 111.163 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.915 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.21 25.67 0.04 OUTLIER 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.609 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 m-20 -38.86 -60.67 0.82 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.636 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 91.0 m -155.27 119.33 4.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.967 0.413 . . . . 1.0 111.631 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.4 179.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.018 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.36 60.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 1.0 112.161 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.25 -67.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -92.28 165.75 12.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.604 -0.298 . . . . 1.0 110.465 179.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.8 m -92.73 179.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 1.0 111.389 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -114.45 29.99 7.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.214 0.531 . . . . 1.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -70.46 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 1.0 109.642 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.6 mt -48.34 -29.0 3.5 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.149 0.499 . . . . 1.0 110.222 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.56 168.56 19.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.287 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 8.4 t -89.11 47.51 1.5 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.458 -0.942 . . . . 1.0 108.458 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.21 163.61 27.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.37 -1.286 . . . . 1.0 111.821 -178.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -52.05 163.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.311 0.577 . . . . 1.0 110.477 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 115.051 -0.977 . . . . 1.0 111.221 -179.563 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.7 t70 . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.588 0.232 . . . . 1.0 110.829 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.521 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p 43.9 172.61 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.76 170.65 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.483 0 CA-C-N 116.048 -0.524 . . . . 1.0 113.921 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 3.3 mtpt -139.96 172.49 12.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.687 0.279 . . . . 1.0 110.5 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -46.25 100.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.637 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.9 m-85 73.78 2.15 4.14 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 70.06 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.399 . . . . 1.0 111.407 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.15 -147.22 0.01 OUTLIER Glycine 0 N--CA 1.461 0.3 0 CA-C-N 115.501 -0.772 . . . . 1.0 113.82 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 m -144.45 84.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.32 . . . . 1.0 110.827 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.08 173.67 6.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.246 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -87.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.488 . . . . 1.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.9 t30 -54.76 -54.84 36.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.486 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.71 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 28.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.485 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.519 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.46 56.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.183 0.993 . . . . 1.0 112.77 -178.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.86 125.0 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.193 -0.912 . . . . 1.0 112.617 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 19.5 m -54.25 163.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.75 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.64 -0.791 . . . . 1.0 111.635 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.96 158.43 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.794 0.33 . . . . 1.0 110.679 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 m -78.67 -179.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.83 33.81 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.389 . . . . 1.0 111.267 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -70.14 -149.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.594 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.4 mt -48.31 -29.25 3.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.172 0.511 . . . . 1.0 110.133 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -142.44 171.24 14.32 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.406 178.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -82.59 64.17 7.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 176.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -71.34 136.74 47.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.303 -1.317 . . . . 1.0 112.537 -177.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.2 161.15 30.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.279 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.86 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.3 t0 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.571 0.224 . . . . 1.0 110.811 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.23 162.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.52 169.29 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.608 -0.724 . . . . 1.0 113.837 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 2.5 mtpt -140.6 169.5 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.0 110.667 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 28' ' ' LEU . 4.2 mt -43.23 97.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.995 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.6 m-85 75.31 -1.12 3.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.142 0.423 . . . . 1.0 112.142 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.5 m -70.83 70.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 1.0 111.368 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.65 -146.32 0.01 OUTLIER Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.642 -0.708 . . . . 1.0 113.463 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 88.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.837 0.351 . . . . 1.0 110.773 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.06 -175.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -85.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.211 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.2 t-20 -56.91 -54.74 43.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.17 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.696 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.09 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.891 0.876 . . . . 1.0 112.303 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 60.62 120.13 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.335 -0.848 . . . . 1.0 112.04 178.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 172.91 0.68 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.835 -1.075 . . . . 1.0 111.018 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.88 58.01 0.21 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.195 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.42 -67.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.518 -0.849 . . . . 1.0 111.692 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.507 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.03 158.55 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.767 0.317 . . . . 1.0 110.718 179.488 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -78.94 172.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.302 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.9 t -113.18 31.04 6.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.031 0.444 . . . . 1.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -70.37 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.773 -0.649 . . . . 1.0 109.656 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -47.74 -28.98 2.75 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.12 0.486 . . . . 1.0 110.224 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.892 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.93 174.33 10.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.663 179.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -92.36 57.8 3.08 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.849 -1.167 . . . . 1.0 107.849 176.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.436 -1.256 . . . . 1.0 111.491 -178.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.938 HD13 HD21 ' A' ' 6' ' ' LEU . 4.8 mp -61.08 156.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 1.0 110.658 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.979 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.0 p-10 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.523 0.201 . . . . 1.0 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.3 p 44.67 163.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.55 0.69 . . . . 1.0 112.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.0 169.48 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.319 -0.855 . . . . 1.0 113.721 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 9.8 mtmm -140.02 170.71 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 1.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.702 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt -43.91 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.971 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.692 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 74.86 1.06 3.7 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.145 0.424 . . . . 1.0 112.145 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 2.5 m -70.78 68.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 1.0 111.365 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.64 -146.58 0.01 OUTLIER Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.725 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.58 87.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.917 0.389 . . . . 1.0 110.691 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -70.02 -158.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.176 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 13' ' ' ASN . 4.7 t -61.49 -131.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.866 0.365 . . . . 1.0 111.128 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.501 ' N ' ' OG1' ' A' ' 12' ' ' THR . 25.1 t30 -45.41 -41.03 8.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.723 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.09 19.71 0.05 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.824 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.2 m-20 -38.79 -49.49 1.62 Allowed 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.477 0.311 . . . . 1.0 111.797 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -179.53 123.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.363 0.601 . . . . 1.0 111.308 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 171.61 0.82 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 60.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.54 -0.755 . . . . 1.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.39 -66.89 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.552 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -87.45 165.49 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.595 -0.302 . . . . 1.0 110.575 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 28.0 m -87.04 175.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.337 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.44 30.88 6.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 1.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -70.37 -153.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 1.0 109.58 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.4 mt -47.93 -28.87 2.93 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.163 0.506 . . . . 1.0 110.216 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.692 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.04 167.64 21.6 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.527 -0.761 . . . . 1.0 110.215 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.87 52.8 2.38 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 177.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.76 155.76 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.946 -1.025 . . . . 1.0 111.494 -179.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 6' ' ' LEU . 6.1 mp -54.71 163.54 0.93 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.317 -0.818 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.05 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.5 t0 . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.609 0.242 . . . . 1.0 110.804 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 8.1 p 42.32 -178.18 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.955 -0.566 . . . . 1.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.34 168.79 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.384 0 CA-C-N 116.074 -0.512 . . . . 1.0 114.02 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 1.8 mtpt -123.76 -178.44 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 28' ' ' LEU . 2.4 mm? -69.97 113.51 7.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.539 0.209 . . . . 1.0 111.397 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.781 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.7 m-85 75.46 -6.9 1.89 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.933 0.345 . . . . 1.0 111.933 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.1 m -70.86 67.8 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.756 0.312 . . . . 1.0 111.656 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.55 -144.08 0.01 OUTLIER Glycine 0 N--CA 1.461 0.317 0 CA-C-N 115.573 -0.74 . . . . 1.0 113.797 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -137.49 97.68 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.864 0.364 . . . . 1.0 110.901 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.24 177.9 3.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.518 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -70.26 -81.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.413 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.1 t-20 -69.76 -59.21 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.683 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.1 29.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.426 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.5 t70 -54.93 53.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.922 0.889 . . . . 1.0 112.665 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' ALA . 86.7 m 57.86 115.3 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.562 -0.744 . . . . 1.0 112.544 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -48.93 167.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.751 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -70.5 62.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.42 -68.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.58 -0.819 . . . . 1.0 111.786 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.504 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -78.55 174.09 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.374 -0.232 . . . . 1.0 110.374 179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.0 m -91.54 170.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 t -108.95 30.83 6.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -70.33 -158.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.91 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.9 mp -46.63 -29.25 1.76 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.029 0.442 . . . . 1.0 110.473 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.781 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -137.25 171.1 14.99 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.798 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.668 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.8 t -88.71 55.07 3.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.597 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.46 147.74 43.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.317 -1.311 . . . . 1.0 111.928 -178.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.04 162.82 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 1.0 110.903 178.431 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.317 -0.834 0 CA-C-N 115.026 -0.988 . . . . 1.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.2 t0 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.589 0.233 . . . . 1.0 110.807 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.69 165.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.5 168.87 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.369 0 CA-C-N 115.658 -0.701 . . . . 1.0 113.902 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.0 mtpt -141.93 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.814 0.34 . . . . 1.0 110.77 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 28' ' ' LEU . 4.0 mm? -44.52 97.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.868 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.856 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 11.1 m-85 74.04 1.57 3.93 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 1.0 111.95 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.78 68.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0 111.306 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.2 -145.88 0.01 OUTLIER Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.455 -0.793 . . . . 1.0 113.504 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.72 87.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.852 0.358 . . . . 1.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.02 -177.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.204 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.214 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 15' ' ' ASP . 4.6 t-20 -57.49 -53.64 55.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.19 28.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.691 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -54.91 54.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.952 0.901 . . . . 1.0 112.493 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.31 119.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.397 -0.819 . . . . 1.0 112.274 178.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.09 171.65 0.69 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.749 -1.114 . . . . 1.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.96 58.74 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.188 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.33 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.494 -0.86 . . . . 1.0 111.843 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.43 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.357 . . . . 1.0 110.854 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.68 HG21 ' CD ' ' A' ' 23' ' ' ARG . 30.1 m -72.56 -179.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.278 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.9 t -128.19 28.82 5.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 1.0 111.756 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.68 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.4 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.903 178.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.6 mp -53.42 -26.26 19.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.019 0.438 . . . . 1.0 110.394 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.856 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -146.07 173.49 12.14 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.464 0.65 . . . . 1.0 110.899 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -90.45 60.07 4.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.328 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.27 146.29 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.691 -1.14 . . . . 1.0 111.506 -178.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.05 162.54 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 1.0 110.881 178.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.318 -0.785 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.3 t0 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.543 0.211 . . . . 1.0 110.789 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.844 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.3 p 42.29 -177.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.016 -0.538 . . . . 1.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -48.37 175.08 0.02 OUTLIER Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.846 -0.615 . . . . 1.0 113.59 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -136.37 172.24 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.716 0.293 . . . . 1.0 110.767 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 HD23 ' A' ' 28' ' ' LEU . 3.5 mm? -60.84 119.41 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.252 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.772 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.2 m-85 72.34 -4.1 2.12 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -71.0 69.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 1.0 111.575 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.41 -144.1 0.01 OUTLIER Glycine 0 N--CA 1.46 0.249 0 CA-C-N 115.627 -0.715 . . . . 1.0 113.58 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.22 91.86 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.804 0.335 . . . . 1.0 110.927 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.09 -176.22 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.338 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -95.69 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.729 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.5 t30 -70.01 -67.19 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.311 . . . . 1.0 111.38 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.74 25.83 0.04 OUTLIER 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.689 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 13' ' ' ASN . 13.2 t0 -38.51 -44.42 0.94 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.352 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 170.92 121.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.526 0.679 . . . . 1.0 111.507 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.2 m -48.45 167.15 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.809 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.06 105.46 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.145 0.497 . . . . 1.0 111.848 -179.479 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.49 -56.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.687 -0.565 . . . . 1.0 111.687 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CE2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -98.66 161.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.538 -0.331 . . . . 1.0 110.875 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.694 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.8 m -82.32 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.496 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.8 t -110.5 30.33 6.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 1.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -158.24 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.011 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 7.1 mt -43.43 -31.42 0.68 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.195 0.521 . . . . 1.0 110.34 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.04 172.14 13.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.41 178.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 m -89.5 57.7 4.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.947 -1.024 . . . . 1.0 108.786 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.57 148.3 45.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.488 -178.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.01 HD23 HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.44 161.87 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.473 0.654 . . . . 1.0 111.15 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 115.109 -0.951 . . . . 1.0 110.738 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.0 t70 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.551 0.215 . . . . 1.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.22 162.85 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.815 0.672 . . . . 1.0 112.815 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.83 169.66 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.632 -0.713 . . . . 1.0 113.97 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.3 mtpt -140.19 169.84 16.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.649 0.262 . . . . 1.0 110.554 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 28' ' ' LEU . 4.9 mt -43.29 98.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 75.15 -1.01 3.17 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -70.81 69.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 1.0 111.488 -179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.13 -145.8 0.01 OUTLIER Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.756 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.62 93.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 1.0 110.728 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.09 -175.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.41 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -67.97 -78.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.166 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 15' ' ' ASP . 22.3 t30 -70.07 -51.9 28.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.749 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.18 27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.843 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.9 t0 -57.58 55.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.595 0.758 . . . . 1.0 112.254 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 66.5 120.81 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.411 -0.813 . . . . 1.0 112.17 178.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -60.17 173.8 0.6 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.764 -1.107 . . . . 1.0 110.883 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.85 52.89 0.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.791 -0.641 . . . . 1.0 112.433 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.53 -68.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.75 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -82.13 157.53 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.35 . . . . 1.0 110.761 179.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.4 m -77.9 171.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.409 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 t -112.0 31.45 6.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.055 0.455 . . . . 1.0 111.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.27 -154.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.63 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.89 -30.23 1.66 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.149 0.5 . . . . 1.0 110.304 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.73 172.9 12.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.439 178.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.13 61.12 5.67 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 177.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -71.88 143.57 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.357 -1.292 . . . . 1.0 111.632 -178.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -70.07 163.18 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.783 178.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 3' ' ' CYS . 35.1 t0 . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.618 0.246 . . . . 1.0 110.814 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.2 p 42.37 -179.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.407 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.96 170.59 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.873 -0.603 . . . . 1.0 113.527 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.4 mtpt -141.16 168.63 19.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 1.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.757 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -48.33 107.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 1.0 111.693 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.8 m-85 73.19 -1.51 3.03 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -71.04 70.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 1.0 111.496 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.08 -143.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 CA-C-N 115.702 -0.681 . . . . 1.0 113.414 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.28 81.73 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.91 0.386 . . . . 1.0 110.756 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -70.06 175.98 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.516 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.438 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' A' ' 15' ' ' ASP . 35.4 t30 -54.79 -57.57 11.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.785 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.642 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.45 32.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.116 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.3 t70 -39.33 -4.78 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.472 1.286 . . . . 1.0 114.472 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.642 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 92.76 102.81 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.884 0.849 . . . . 1.0 111.497 179.021 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -45.97 166.73 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.081 -1.418 . . . . 1.0 111.388 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.26 114.33 8.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.937 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.8 -51.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.412 -0.675 . . . . 1.0 111.412 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.94 154.16 20.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.822 179.653 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HD3' ' A' ' 23' ' ' ARG . 34.7 m -70.62 -177.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.332 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 t -133.07 26.67 4.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.186 0.517 . . . . 1.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -70.54 -136.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.066 179.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.01 -25.41 29.98 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.93 0.395 . . . . 1.0 110.419 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -147.18 174.04 11.97 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.604 0.716 . . . . 1.0 111.153 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -91.11 59.09 3.91 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.568 -1.196 . . . . 1.0 108.252 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.97 145.28 48.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.655 -1.157 . . . . 1.0 111.882 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.25 160.95 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.531 0.681 . . . . 1.0 110.933 178.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--N 1.318 -0.8 0 CA-C-N 115.144 -0.935 . . . . 1.0 110.802 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.5 t70 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.6 0.238 . . . . 1.0 110.794 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.2 p 44.09 172.08 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.13 170.78 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.963 -0.562 . . . . 1.0 114.006 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 13.1 mtpp -142.02 172.58 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.627 -0.287 . . . . 1.0 110.502 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.911 HD21 HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -46.23 104.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.616 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.878 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 33.8 m-85 71.7 1.49 3.9 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.077 0.399 . . . . 1.0 112.077 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.88 68.52 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.944 0.402 . . . . 1.0 111.353 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.42 -145.78 0.01 OUTLIER Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.665 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -146.25 85.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.87 0.367 . . . . 1.0 110.931 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -70.06 176.4 3.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.275 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.4 t30 -56.32 -50.88 70.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.668 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.32 30.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.413 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.1 t0 -50.02 54.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.299 1.039 . . . . 1.0 112.984 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER 56.39 122.59 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.32 -0.855 . . . . 1.0 112.783 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 16.4 m -51.59 161.26 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.845 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.55 58.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -67.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.704 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.89 154.73 25.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 179.435 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 23' ' ' ARG . 28.7 m -70.13 -174.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.088 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.57 29.5 3.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.916 0.389 . . . . 1.0 111.64 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -70.4 -137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.936 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.3 mp -50.66 -31.52 16.52 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.171 0.51 . . . . 1.0 110.114 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.878 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.36 172.37 13.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.309 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -84.0 63.96 7.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.143 -1.058 . . . . 1.0 108.143 177.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 25' ' ' TRP . 4.7 tptt -71.61 146.35 48.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.64 -1.164 . . . . 1.0 112.29 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.911 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.31 159.2 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.276 0.56 . . . . 1.0 110.352 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 1.0 111.063 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 3' ' ' CYS . 21.8 t0 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.521 0.2 . . . . 1.0 110.81 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.56 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p 44.54 165.07 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.13 167.12 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.38 0 CA-C-N 115.405 -0.816 . . . . 1.0 113.995 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 6.7 mtpt -140.79 174.96 10.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 1.0 110.716 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 28' ' ' LEU . 4.1 mm? -46.24 96.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.524 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.926 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.8 m-85 74.14 4.4 4.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.962 0.356 . . . . 1.0 111.962 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.426 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 69.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 111.134 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.42 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.389 -0.823 . . . . 1.0 113.621 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 84.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.09 -171.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.316 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -82.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.248 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.4 t-20 -66.16 -65.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 1.0 112.047 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' ASN . 32.1 t70 -38.71 -52.89 1.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.806 0.299 . . . . 1.0 111.806 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 178.41 120.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.373 0.606 . . . . 1.0 111.016 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 170.71 0.52 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.096 -0.956 . . . . 1.0 111.531 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -70.68 59.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.507 -0.769 . . . . 1.0 112.22 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.17 -67.05 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.534 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.573 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.42 157.77 21.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.879 0.371 . . . . 1.0 110.82 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -80.4 -179.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.2 t -117.58 33.92 5.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.953 0.406 . . . . 1.0 111.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -70.1 -153.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.523 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.1 mt -47.42 -29.27 2.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.172 0.51 . . . . 1.0 110.219 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.926 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.48 171.12 14.57 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.361 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -83.12 64.02 7.45 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 107.446 -1.316 . . . . 1.0 107.446 176.664 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.11 136.97 48.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 1.0 112.481 -177.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.22 160.74 31.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.307 178.433 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.281 -0.872 . . . . 1.0 110.777 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 3' ' ' CYS . 18.2 t70 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.57 0.224 . . . . 1.0 110.797 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.09 170.75 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.623 0.601 . . . . 1.0 112.623 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -47.93 169.37 0.08 OUTLIER Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 115.955 -0.566 . . . . 1.0 113.739 -178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.779 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.2 mtpt -127.99 164.43 22.36 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.5 mt -42.62 105.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 6' ' ' LEU . 12.3 m-85 72.73 -3.36 2.4 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.4 m -70.54 72.25 0.5 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.754 0.311 . . . . 1.0 111.742 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.27 -145.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.69 -0.687 . . . . 1.0 113.816 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.49 93.73 2.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 1.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.11 175.3 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.0 p -67.24 -94.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.3 t-20 -57.26 -45.54 83.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.993 0.425 . . . . 1.0 110.476 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.738 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.38 29.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.502 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 m-20 -48.59 57.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.214 1.006 . . . . 1.0 112.637 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.738 ' N ' ' O ' ' A' ' 14' ' ' ALA . 3.7 m 58.63 126.87 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.045 -0.98 . . . . 1.0 112.467 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 57.9 m -51.4 167.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.152 -0.931 . . . . 1.0 111.283 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 9.58 0.74 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.64 -64.59 0.73 Allowed Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.192 -1.004 . . . . 1.0 111.934 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -81.33 167.13 19.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.577 0.227 . . . . 1.0 110.6 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -86.48 -167.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.282 . . . . 1.0 110.955 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -130.8 31.31 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.424 . . . . 1.0 111.242 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -70.38 -146.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.501 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.8 -26.47 5.74 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 121.102 0.477 . . . . 1.0 110.247 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.49 172.68 12.63 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.786 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.779 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -87.65 55.21 3.4 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.822 -1.177 . . . . 1.0 107.822 176.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -73.03 148.19 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.446 -1.252 . . . . 1.0 111.58 -178.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -55.15 155.85 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.689 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 115.424 -0.807 . . . . 1.0 111.285 -179.605 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 3' ' ' CYS . 36.0 t0 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.53 0.205 . . . . 1.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.553 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.7 165.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.774 0.657 . . . . 1.0 112.774 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.65 169.01 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.647 -0.706 . . . . 1.0 113.841 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 28.7 mtpt -141.71 171.16 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 1.0 110.89 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -44.63 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.828 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.56 0.55 3.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.892 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.74 69.29 0.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.894 0.378 . . . . 1.0 111.331 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.89 -145.59 0.01 OUTLIER Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.492 -0.776 . . . . 1.0 113.561 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.45 86.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.835 0.35 . . . . 1.0 110.8 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.0 -176.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.273 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 34.3 t30 -56.49 -53.74 53.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.13 28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.669 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -54.89 54.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.97 0.908 . . . . 1.0 112.489 -179.089 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.28 119.0 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 1.0 112.203 178.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 171.77 0.6 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.912 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.84 55.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.78 -0.645 . . . . 1.0 112.439 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.4 -0.905 . . . . 1.0 111.825 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -83.2 156.14 23.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 1.0 110.891 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.674 HG21 ' CD ' ' A' ' 23' ' ' ARG . 27.1 m -72.35 -179.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.264 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.4 t -127.93 29.07 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.992 0.425 . . . . 1.0 111.76 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.674 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.35 -139.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.773 178.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.8 mp -53.95 -25.78 22.29 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.006 0.432 . . . . 1.0 110.361 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.48 174.11 11.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.514 0.673 . . . . 1.0 110.898 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.04 60.07 4.22 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.908 -1.145 . . . . 1.0 107.908 177.043 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -71.97 145.71 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.51 -1.223 . . . . 1.0 111.6 -178.422 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -70.11 160.44 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 1.0 110.896 178.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.142 -0.936 . . . . 1.0 110.747 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.1 t70 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.571 0.224 . . . . 1.0 110.841 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.832 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.4 p 42.36 -179.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.337 0.589 . . . . 1.0 112.375 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -51.6 173.69 0.17 Allowed Glycine 0 N--CA 1.43 -1.71 0 CA-C-N 115.78 -0.646 . . . . 1.0 113.527 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -130.2 169.39 15.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.595 0.236 . . . . 1.0 110.696 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.77 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.57 118.87 7.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.49 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.77 ' CE2' HD22 ' A' ' 6' ' ' LEU . 18.5 m-85 72.88 -7.48 1.46 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.9 m -71.12 67.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 1.0 111.664 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.54 -143.37 0.01 OUTLIER Glycine 0 N--CA 1.461 0.315 0 CA-C-N 115.594 -0.73 . . . . 1.0 113.716 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -136.75 88.76 2.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.944 0.402 . . . . 1.0 110.733 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -70.18 -159.91 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.595 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -57.63 -158.16 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.12 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -41.28 -42.65 2.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.982 0.42 . . . . 1.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.832 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.43 27.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.282 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 13' ' ' ASN . 2.4 m-20 -38.46 -43.37 0.83 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.452 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER 172.14 124.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.0 111.866 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -48.66 170.59 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.03 -0.987 . . . . 1.0 110.765 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -70.17 106.95 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.0 111.9 -179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.85 -55.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.661 -0.575 . . . . 1.0 111.661 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -102.37 171.55 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.372 . . . . 1.0 110.892 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.0 m -96.39 174.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.583 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.0 t -106.8 30.96 5.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.293 0.568 . . . . 1.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.09 -160.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.608 -0.723 . . . . 1.0 110.176 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.9 mt -43.93 -31.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.201 0.524 . . . . 1.0 110.28 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.601 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.01 166.97 22.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.033 178.74 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -84.95 52.58 2.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.647 -0.706 . . . . 1.0 109.168 177.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.02 156.66 38.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.522 -179.249 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' CD1' HD21 ' A' ' 6' ' ' LEU . 11.0 mp -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.211 0.529 . . . . 1.0 110.386 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.065 -0.97 . . . . 1.0 111.371 -179.548 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' CYS . 20.7 t0 . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.565 0.221 . . . . 1.0 110.817 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.756 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 17.3 p 42.27 -178.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.942 -0.572 . . . . 1.0 112.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -49.37 173.11 0.06 OUTLIER Glycine 0 N--CA 1.431 -1.665 0 CA-C-N 115.764 -0.653 . . . . 1.0 113.553 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 4.1 mtpt -131.48 173.22 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.921 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.771 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.9 mm? -62.13 121.2 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.366 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.83 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.7 m-85 71.51 -4.44 1.86 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 111.965 0.357 . . . . 1.0 111.965 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLY . 2.1 m -70.8 69.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 1.0 111.54 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.55 -144.79 0.01 OUTLIER Glycine 0 N--CA 1.461 0.314 0 CA-C-N 115.58 -0.736 . . . . 1.0 113.66 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.89 91.79 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.831 0.348 . . . . 1.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.07 -173.71 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.62 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -70.59 -103.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.647 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 15' ' ' ASP . 32.3 t30 -68.46 -65.29 0.72 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.731 0.301 . . . . 1.0 111.172 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 24.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 13' ' ' ASN . 11.5 t0 -38.82 -44.93 1.09 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 173.9 121.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.41 0.624 . . . . 1.0 111.475 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -46.6 166.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.941 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.08 102.39 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 1.0 111.81 -179.493 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.79 -57.89 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.789 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -94.21 167.94 11.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 1.0 111.004 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.0 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.03 31.5 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 1.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -70.26 -154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.785 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.601 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -47.4 -28.87 2.28 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.034 0.445 . . . . 1.0 110.381 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.83 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.63 173.89 11.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.558 0.694 . . . . 1.0 110.882 179.294 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -88.79 55.61 3.43 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.671 -1.15 . . . . 1.0 108.378 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -72.87 144.23 47.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.968 -1.014 . . . . 1.0 111.579 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.771 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.97 158.01 20.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.292 0.568 . . . . 1.0 110.826 178.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.377 -0.829 . . . . 1.0 111.063 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.545 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.6 t0 . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.573 0.225 . . . . 1.0 110.853 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.545 ' O ' ' O ' ' A' ' 2' ' ' ASP . 4.2 p 44.1 168.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.81 0.67 . . . . 1.0 112.81 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.81 168.08 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.877 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 4.1 mtpp -141.42 173.08 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.861 0.362 . . . . 1.0 110.748 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 28' ' ' LEU . 3.1 mm? -46.08 96.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.714 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.912 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER 74.39 3.52 4.33 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.818 179.363 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.59 69.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.51 -145.59 0.01 OUTLIER Glycine 0 N--CA 1.459 0.2 0 CA-C-N 115.386 -0.825 . . . . 1.0 113.538 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.34 85.81 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.833 0.349 . . . . 1.0 110.912 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -70.1 -172.15 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.207 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -87.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.7 t-20 -62.07 -62.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.979 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' ASN . 26.2 t70 -38.41 -57.18 1.16 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 122.471 0.309 . . . . 1.0 111.759 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.72 119.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.46 0.648 . . . . 1.0 111.475 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.11 169.07 0.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.006 -0.997 . . . . 1.0 111.285 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.82 59.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 1.0 112.267 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.6 -67.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.541 -0.838 . . . . 1.0 111.737 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -84.49 158.25 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.815 0.34 . . . . 1.0 110.799 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.36 -176.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.1 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.3 t -136.54 27.92 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 1.0 111.334 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -114.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.112 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.68 -30.49 67.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.164 0.507 . . . . 1.0 109.997 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.912 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.29 175.22 10.26 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.768 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -92.94 53.95 2.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.887 -1.051 . . . . 1.0 108.27 177.002 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 1.7 tttt -72.96 147.89 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.245 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -55.56 156.26 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.222 0.535 . . . . 1.0 110.674 178.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.213 -179.599 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 3' ' ' CYS . 14.0 p-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.563 0.221 . . . . 1.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.9 p 44.37 169.58 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.635 0.605 . . . . 1.0 112.635 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 167.44 0.39 Allowed Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 121.139 -0.553 . . . . 1.0 113.859 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.0 mtpt -129.37 165.04 22.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.561 -0.32 . . . . 1.0 110.555 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.652 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -41.32 111.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.358 0.503 . . . . 1.0 112.358 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.9 m-85 68.27 -6.32 0.79 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.667 0.618 . . . . 1.0 112.667 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 3.3 m -70.91 73.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 1.0 111.633 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.17 -146.46 0.01 OUTLIER Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.923 -0.581 . . . . 1.0 113.596 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -156.38 89.89 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.806 0.336 . . . . 1.0 110.852 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.05 -177.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.199 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -86.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.101 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 26.0 t30 -55.21 -56.54 18.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 30.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -53.12 55.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.055 0.942 . . . . 1.0 112.457 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.5 m 59.5 122.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.199 -0.909 . . . . 1.0 112.265 178.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 27.1 m -46.16 162.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.139 -0.937 . . . . 1.0 111.014 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.5 59.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.27 -66.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.658 -0.782 . . . . 1.0 111.775 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.78 160.53 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.694 0.283 . . . . 1.0 110.513 179.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 m -78.6 170.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.02 30.46 6.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.533 . . . . 1.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -70.31 -156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.856 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -47.13 -28.84 1.95 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.88 173.91 11.07 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.569 0.699 . . . . 1.0 110.975 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.744 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -88.54 58.47 4.7 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.597 -1.183 . . . . 1.0 108.151 176.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.85 142.43 47.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.663 -1.153 . . . . 1.0 111.277 -178.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.652 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.41 157.36 17.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.378 0.609 . . . . 1.0 110.681 178.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.333 -0.849 . . . . 1.0 111.034 -179.739 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' CYS . 19.4 t70 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.588 0.232 . . . . 1.0 110.803 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.97 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 25.6 p 42.16 -174.55 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 112.204 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -40.57 171.3 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.748 -0.66 . . . . 1.0 114.229 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 16.7 mtpt -141.26 -169.75 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.317 -0.253 . . . . 1.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 28' ' ' LEU . 2.5 mt -70.63 103.34 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.764 -0.198 . . . . 1.0 111.231 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.1 m-85 74.36 2.9 4.23 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 111.922 0.342 . . . . 1.0 111.922 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -70.46 69.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 1.0 111.405 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 30.72 -147.41 0.01 OUTLIER Glycine 0 N--CA 1.461 0.339 0 CA-C-N 115.447 -0.797 . . . . 1.0 113.645 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 32.4 m -138.21 94.06 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.849 0.357 . . . . 1.0 110.724 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 5.5 m-20 -70.14 -177.22 1.33 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.607 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -95.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.982 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.0 t30 -69.49 -67.66 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.795 0.331 . . . . 1.0 111.277 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.97 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.59 24.93 0.04 OUTLIER 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.431 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 13' ' ' ASN . 34.5 t0 -38.41 -70.68 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.707 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 95.9 m -157.05 115.59 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.045 0.45 . . . . 1.0 111.415 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.4 m -52.52 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.793 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.13 86.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.7 -62.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.875 -0.679 . . . . 1.0 111.838 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -93.02 171.09 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.29 . . . . 1.0 110.869 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.28 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.65 29.47 4.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 1.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.55 -118.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.15 -24.33 63.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.037 0.446 . . . . 1.0 110.282 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.867 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -149.29 174.46 12.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.555 0.693 . . . . 1.0 110.958 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 11.6 t -90.8 50.23 1.77 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.819 -1.178 . . . . 1.0 107.819 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -72.59 145.69 47.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.034 -1.439 . . . . 1.0 112.095 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 6' ' ' LEU . 7.2 mp -63.31 157.78 22.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 1.0 110.692 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.349 -0.841 . . . . 1.0 110.935 -179.791 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.2 t70 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.638 0.256 . . . . 1.0 110.833 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.976 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.2 p 42.49 -178.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.951 -0.568 . . . . 1.0 112.41 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -41.83 169.57 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 114.002 -178.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 31.3 mtpt -141.75 -170.46 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 28' ' ' LEU . 2.6 mm? -70.31 102.18 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.158 -0.217 . . . . 1.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.71 2.98 4.17 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 m -70.45 70.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 1.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 31.84 -145.97 0.01 OUTLIER Glycine 0 N--CA 1.459 0.217 0 CA-C-N 115.409 -0.814 . . . . 1.0 113.537 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -142.64 96.61 2.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 1.0 111.117 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.11 -177.52 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.241 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -95.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.42 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -69.71 -64.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 111.065 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.976 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 23.09 0.04 OUTLIER 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.816 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.1 t0 -38.79 -65.6 0.35 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.64 -179.485 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 84.6 m -155.6 117.34 4.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.027 0.441 . . . . 1.0 111.499 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.99 174.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.992 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -70.31 61.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 1.0 112.039 -179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.85 -67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 1.0 111.669 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -88.86 162.05 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.64 0.257 . . . . 1.0 110.589 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -82.33 -166.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.05 -179.394 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' H ' HG12 ' A' ' 21' ' ' VAL . 46.7 t -136.29 28.53 3.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.145 0.498 . . . . 1.0 111.282 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD2' HG11 ' A' ' 21' ' ' VAL . 4.4 mtp180 -70.42 -140.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.637 . . . . 1.0 109.741 178.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -52.03 -26.78 11.61 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 1.0 110.15 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.37 175.04 10.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.626 0.727 . . . . 1.0 110.749 179.372 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.666 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.9 t -95.43 54.96 1.66 Allowed 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.61 -1.177 . . . . 1.0 108.216 177.372 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -73.01 147.67 44.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.96 -1.473 . . . . 1.0 111.883 -178.666 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.734 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -62.06 157.06 19.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 1.0 110.712 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.952 -179.887 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.84 0.352 . . . . 1.0 110.845 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p -53.92 169.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.591 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.6 167.81 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 115.666 -0.697 . . . . 1.0 114.256 -178.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 18.2 mtpt -140.97 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.504 -0.348 . . . . 1.0 110.424 179.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -44.82 96.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.677 -179.803 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.5 m-85 75.46 1.43 3.63 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 111.957 0.354 . . . . 1.0 111.957 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.77 71.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 1.0 111.565 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.57 -146.78 0.01 OUTLIER Glycine 0 N--CA 1.46 0.268 0 CA-C-N 115.689 -0.687 . . . . 1.0 113.751 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.16 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 1.0 110.768 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.08 -169.03 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.407 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.7 t-20 -64.76 -61.3 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.97 24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.837 179.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 13' ' ' ASN . 8.6 t0 -38.63 -55.72 1.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -176.52 123.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.355 0.598 . . . . 1.0 112.227 -179.862 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 23.4 m -49.7 159.8 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.07 -0.968 . . . . 1.0 110.947 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pm0 -70.58 58.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.959 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.0 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.7 -0.762 . . . . 1.0 111.652 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.83 172.24 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.706 0.289 . . . . 1.0 110.655 179.35 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.99 176.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.177 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -116.73 30.84 7.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 1.0 111.226 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -70.33 -151.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.605 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD12 ' H ' ' A' ' 24' ' ' LEU . 3.0 mp -48.27 -28.59 3.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.124 0.488 . . . . 1.0 110.211 179.037 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.865 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.09 172.94 12.1 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.569 179.235 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -92.07 53.81 2.25 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.76 -1.2 . . . . 1.0 107.76 176.614 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.52 146.37 46.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.596 -1.184 . . . . 1.0 111.665 -178.532 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 1.1 mp -59.84 157.83 11.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.539 . . . . 1.0 110.759 178.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.398 -0.819 . . . . 1.0 111.009 -179.821 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.845 0.355 . . . . 1.0 110.826 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.851 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.4 p -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.297 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.52 167.49 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 115.719 -0.673 . . . . 1.0 114.143 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.6 mtmm -140.75 169.24 18.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.822 0.344 . . . . 1.0 110.777 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 28' ' ' LEU . 4.5 mm? -45.39 104.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.894 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.943 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 8.2 m-85 70.05 4.04 4.63 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 69.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.38 -147.29 0.01 OUTLIER Glycine 0 CA--C 1.517 0.204 0 CA-C-N 115.366 -0.834 . . . . 1.0 113.621 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.1 78.26 1.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 1.0 110.594 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-20 -55.78 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.388 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.251 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 15' ' ' ASP . 23.4 t30 -70.15 -57.44 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 1.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.73 20.62 0.04 OUTLIER 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -38.89 -48.52 1.57 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.828 0.347 . . . . 1.0 111.141 -179.713 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 122.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 1.0 111.453 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.44 168.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.375 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.1 64.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.0 -65.0 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.363 -0.922 . . . . 1.0 112.864 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -87.02 -175.21 5.26 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 120.725 0.297 . . . . 1.0 110.914 -179.075 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -95.04 -164.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.154 179.197 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' H ' HG12 ' A' ' 21' ' ' VAL . 42.2 t -145.65 29.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.22 0.533 . . . . 1.0 111.023 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.76 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.056 179.278 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.5 mt -70.58 -21.11 62.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.98 0.419 . . . . 1.0 110.317 178.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.943 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -155.91 175.32 14.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.5 0.667 . . . . 1.0 111.159 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.85 68.33 7.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 176.359 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.4 107.11 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.86 -1.518 . . . . 1.0 111.95 -177.913 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -50.08 162.03 0.23 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.491 . . . . 1.0 110.753 179.464 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.739 -179.991 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.7 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.553 0.216 . . . . 1.0 111.035 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.835 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.2 p 43.64 172.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.695 0.628 . . . . 1.0 112.695 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.82 168.49 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 115.475 -0.784 . . . . 1.0 113.784 -178.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.5 mtpt -141.05 169.82 16.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.928 0.394 . . . . 1.0 111.056 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.03 100.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.905 -179.817 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.824 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 71.74 3.4 4.65 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.065 0.395 . . . . 1.0 112.065 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.65 67.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.996 0.427 . . . . 1.0 111.324 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 29.11 -146.62 0.01 OUTLIER Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.297 -0.865 . . . . 1.0 114.004 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.02 74.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 1.0 110.457 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.03 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.669 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 p -62.11 -142.27 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 31.2 t30 -42.52 -40.09 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.987 0.422 . . . . 1.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.98 23.62 0.04 OUTLIER 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.625 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 7.1 m-20 -38.69 -50.24 1.62 Allowed 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 122.73 0.412 . . . . 1.0 111.781 -179.022 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.03 122.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 1.0 111.78 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.17 169.77 0.16 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.966 -1.016 . . . . 1.0 111.329 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 60.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.379 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.23 -67.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.789 . . . . 1.0 111.551 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.533 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -90.19 153.17 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.788 0.328 . . . . 1.0 110.737 179.296 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HH11 ' A' ' 23' ' ' ARG . 34.3 m -73.43 -170.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 29.6 1.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 1.0 111.554 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.644 HH11 HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -70.28 -122.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.559 178.849 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.36 -23.37 62.48 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.143 0.497 . . . . 1.0 109.821 178.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.824 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -156.65 171.92 19.5 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.427 179.441 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -88.8 60.71 5.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 177.195 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.93 149.24 43.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.302 -1.317 . . . . 1.0 111.723 -178.819 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.86 ' CD1' HD11 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -70.22 162.6 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.528 0.68 . . . . 1.0 110.984 178.491 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.963 . . . . 1.0 110.741 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.802 0.334 . . . . 1.0 110.784 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.5 p -58.91 179.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.311 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -50.9 171.61 0.18 Allowed Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.896 -0.593 . . . . 1.0 113.665 -179.002 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -121.93 175.04 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 1.0 110.889 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.766 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -64.99 124.2 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.327 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.0 m-85 71.8 -7.19 1.3 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.3 m -70.82 70.45 0.48 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.694 0.283 . . . . 1.0 111.676 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 28.13 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.462 0.384 0 CA-C-N 115.753 -0.658 . . . . 1.0 113.578 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 m -134.1 96.77 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.865 0.364 . . . . 1.0 110.705 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.08 170.64 11.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.626 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -70.49 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.628 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.6 t-20 -70.19 -65.82 0.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.237 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.04 31.87 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.369 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 t0 -54.03 55.17 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.896 0.879 . . . . 1.0 112.082 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.1 m 60.59 123.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.123 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m -44.27 165.04 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.801 -1.09 . . . . 1.0 111.246 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.8 pt-20 -70.47 72.71 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 1.0 112.106 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.82 -67.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.622 -0.799 . . . . 1.0 111.804 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -77.69 165.15 24.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.686 0.279 . . . . 1.0 110.507 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -84.91 170.52 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.333 . . . . 1.0 111.308 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -106.68 31.21 5.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.262 0.553 . . . . 1.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -160.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.238 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -44.29 -30.2 0.78 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.105 0.478 . . . . 1.0 110.54 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.75 174.35 10.62 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.609 0.719 . . . . 1.0 110.903 179.135 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -86.78 58.42 5.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.561 -1.2 . . . . 1.0 108.505 176.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -73.01 140.95 47.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.303 -179.04 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.766 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.02 158.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.367 0.603 . . . . 1.0 110.995 178.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.252 -0.886 . . . . 1.0 111.055 -179.789 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.2 t0 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.591 0.234 . . . . 2.22 110.835 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.749 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 p 44.45 166.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.783 0.661 . . . . 0.63 112.783 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.51 168.67 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.424 0 CA-C-N 115.457 -0.792 . . . . 0.51 113.857 -178.782 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 22.5 mtpt -140.15 171.11 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.924 0.392 . . . . 2.32 110.93 179.481 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 28' ' ' LEU . 7.4 mt -47.91 100.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 1.57 111.516 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.907 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 75.89 1.87 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.362 -0.381 . . . . 1.08 111.967 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.46 69.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.946 0.403 . . . . 0.47 111.308 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.92 -146.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.395 -0.821 . . . . 0.37 113.87 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.09 88.01 1.78 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.85 110.663 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.04 -177.71 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 1.44 111.467 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.066 -0.516 . . . . 1.34 111.331 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 12.6 t-20 -67.84 -65.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 2.15 110.769 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.84 23.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 0.97 111.738 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 42.3 t0 -38.86 -54.53 1.62 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.152 0.427 . . . . 2.14 112.152 -179.071 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -174.77 122.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.362 0.601 . . . . 1.13 111.64 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 170.3 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.103 -0.953 . . . . 1.19 111.309 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -70.9 59.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.536 -0.756 . . . . 1.98 112.244 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.65 -67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.57 -0.824 . . . . 0.58 111.668 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.18 158.01 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.823 0.344 . . . . 1.68 110.743 179.471 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 20.8 m -78.72 -177.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.79 111.204 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.8 t -124.87 31.07 5.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.218 0.532 . . . . 0.81 111.06 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -70.35 -144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.781 -0.645 . . . . 3.12 109.505 178.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.95 -26.81 6.43 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.185 0.517 . . . . 0.84 110.149 178.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.907 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.568 -0.742 . . . . 0.86 110.705 179.416 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.95 57.8 3.23 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.785 -1.191 . . . . 0.76 107.785 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.16 144.39 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.471 -1.24 . . . . 1.92 111.53 -178.485 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.42 158.06 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.339 0.59 . . . . 1.19 110.914 179.013 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.363 -0.835 . . . . 1.23 111.032 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.857 0.361 . . . . 1.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' CYS . 34.9 t0 -65.73 -38.65 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.803 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ASP . 17.2 p 41.97 -174.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.026 -0.533 . . . . 1.0 112.229 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -54.02 170.67 1.04 Allowed Glycine 0 N--CA 1.429 -1.788 0 CA-C-N 116.042 -0.526 . . . . 1.0 113.587 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 176.96 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.802 0.334 . . . . 1.0 110.733 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.901 HD21 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -67.87 120.16 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.992 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 6' ' ' LEU . 25.1 m-85 73.36 -1.79 2.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.75 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -71.11 71.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 1.0 111.43 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 33.49 -147.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.748 -0.66 . . . . 1.0 113.354 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.86 80.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.846 0.355 . . . . 1.0 110.733 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -70.1 160.06 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.238 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.04 -79.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 15' ' ' ASP . 27.0 t30 -64.13 -50.15 69.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.977 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.843 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -70.77 14.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.532 0.567 . . . . 1.0 112.532 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 16' ' ' CYS . 35.5 t70 -39.15 66.92 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 123.871 0.868 . . . . 1.0 111.603 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.843 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.7 m 6.96 116.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.676 -1.602 . . . . 1.0 113.323 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.1 m -39.71 162.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.892 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.21 120.78 11.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.856 -0.611 . . . . 1.0 112.055 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.15 -53.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -101.76 178.26 4.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.219 -0.49 . . . . 1.0 110.383 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 29' ' ' ASP . 27.2 m -98.14 -176.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.651 0.262 . . . . 1.0 111.302 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.52 30.28 7.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.194 0.521 . . . . 1.0 110.989 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -70.42 -154.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.659 -0.7 . . . . 1.0 109.656 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' H ' HD12 ' A' ' 24' ' ' LEU . 1.7 mp -47.38 -29.56 2.69 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.153 0.501 . . . . 1.0 110.24 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.572 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.86 163.99 30.82 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.076 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.537 ' C ' ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -86.19 47.06 1.41 Allowed 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.654 -0.869 . . . . 1.0 108.654 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -73.31 163.57 27.9 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.86 -178.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.901 HD12 HD21 ' A' ' 6' ' ' LEU . 2.2 mp -51.49 163.62 0.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.294 0.568 . . . . 1.0 110.563 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 21' ' ' VAL . 4.3 t70 -56.86 76.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.078 -0.964 . . . . 1.0 111.219 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.508 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.218 -0.896 . . . . 1.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.668 0.271 . . . . 1.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' ' O ' ' A' ' 3' ' ' CYS . 27.9 t70 -65.8 -72.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.796 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.01 172.0 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.566 0.58 . . . . 1.0 112.566 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.28 170.05 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.475 0 CA-C-N 116.021 -0.536 . . . . 1.0 113.944 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 24.1 mtpt -142.03 173.02 11.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.685 0.279 . . . . 1.0 110.495 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.685 HD11 HD13 ' A' ' 28' ' ' LEU . 3.5 mm? -44.58 98.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.756 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 9.2 m-85 74.09 1.29 3.85 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.101 0.408 . . . . 1.0 112.101 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.66 70.95 0.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 1.0 111.332 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.58 -147.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.524 -0.762 . . . . 1.0 113.588 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -153.36 82.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.888 0.375 . . . . 1.0 110.756 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -70.02 -179.6 1.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.329 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.205 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.5 t30 -54.04 -55.91 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.628 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.23 27.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.535 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.81 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.167 0.987 . . . . 1.0 112.799 -178.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.704 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.49 123.96 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.457 178.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 m -53.0 164.81 0.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.857 -1.065 . . . . 1.0 110.833 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -70.65 57.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.64 -67.73 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.563 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.581 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.4 164.93 25.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.689 0.281 . . . . 1.0 110.575 179.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -83.35 -166.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.852 -179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' H ' HG12 ' A' ' 21' ' ' VAL . 20.6 t -128.27 33.19 4.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.005 0.431 . . . . 1.0 111.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -70.19 -155.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.724 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.7 mt -46.46 -29.96 1.97 Allowed 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.079 0.466 . . . . 1.0 110.296 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.57 170.61 15.69 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.425 178.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -81.82 64.41 6.51 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.521 -1.289 . . . . 1.0 107.521 176.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 30' ' ' TRP . 8.2 tttt -71.61 136.46 47.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.249 -1.341 . . . . 1.0 112.516 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.0 161.87 29.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.304 178.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -61.6 74.17 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.248 -0.887 . . . . 1.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.959 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.848 0.356 . . . . 1.0 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.7 p-10 -56.37 -44.75 80.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.146 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.915 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.8 p 42.48 -179.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.944 -0.571 . . . . 1.0 112.429 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.37 170.13 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.46 0 CA-C-N 115.781 -0.645 . . . . 1.0 113.885 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 8.6 mtmm -139.61 -165.25 1.84 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.997 -0.371 . . . . 1.0 109.997 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.918 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.7 mt -70.86 95.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.86 -0.155 . . . . 1.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.918 ' CE2' HD22 ' A' ' 6' ' ' LEU . 20.0 m-85 72.61 4.04 4.87 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 111.952 0.352 . . . . 1.0 111.952 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.8 m -70.5 69.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 1.0 111.546 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 29.97 -147.05 0.01 OUTLIER Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.495 -0.775 . . . . 1.0 113.843 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.24 92.66 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 1.0 110.95 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -70.08 -156.34 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.173 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 p -57.67 -158.96 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.502 ' C ' ' H ' ' A' ' 15' ' ' ASP . 29.7 t30 -40.78 -39.63 1.15 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.991 0.424 . . . . 1.0 111.163 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.915 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.21 25.67 0.04 OUTLIER 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.609 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 13' ' ' ASN . 3.2 m-20 -38.86 -60.67 0.82 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.636 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 91.0 m -155.27 119.33 4.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.967 0.413 . . . . 1.0 111.631 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.4 179.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.018 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.36 60.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 1.0 112.161 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.25 -67.47 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.742 -0.742 . . . . 1.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -92.28 165.75 12.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.604 -0.298 . . . . 1.0 110.465 179.288 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.8 m -92.73 179.73 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 1.0 111.389 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.4 t -114.45 29.99 7.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.214 0.531 . . . . 1.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -70.46 -151.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 1.0 109.642 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.6 mt -48.34 -29.0 3.5 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.149 0.499 . . . . 1.0 110.222 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.576 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.56 168.56 19.52 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.287 179.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 8.4 t -89.11 47.51 1.5 Allowed 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.458 -0.942 . . . . 1.0 108.458 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.21 163.61 27.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.37 -1.286 . . . . 1.0 111.821 -178.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 30' ' ' TRP . 8.0 mp -52.05 163.84 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.311 0.577 . . . . 1.0 110.477 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -56.62 76.23 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.051 -0.977 . . . . 1.0 111.221 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.517 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.193 -0.908 . . . . 1.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.726 0.298 . . . . 1.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.7 t70 -65.87 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.521 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p 43.9 172.61 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.536 0.569 . . . . 1.0 112.536 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.76 170.65 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.483 0 CA-C-N 116.048 -0.524 . . . . 1.0 113.921 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 3.3 mtpt -139.96 172.49 12.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.687 0.279 . . . . 1.0 110.5 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -46.25 100.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.637 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.888 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.9 m-85 73.78 2.15 4.14 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 70.06 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.399 . . . . 1.0 111.407 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.15 -147.22 0.01 OUTLIER Glycine 0 N--CA 1.461 0.3 0 CA-C-N 115.501 -0.772 . . . . 1.0 113.82 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.7 m -144.45 84.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.773 0.32 . . . . 1.0 110.827 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.08 173.67 6.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.246 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -87.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.488 . . . . 1.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.9 t30 -54.76 -54.84 36.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.486 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.71 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 28.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.485 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.519 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -51.46 56.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.183 0.993 . . . . 1.0 112.77 -178.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.71 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.86 125.0 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.193 -0.912 . . . . 1.0 112.617 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 19.5 m -54.25 163.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.75 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 56.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.897 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -67.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.64 -0.791 . . . . 1.0 111.635 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.96 158.43 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.794 0.33 . . . . 1.0 110.679 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.1 m -78.67 -179.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.83 33.81 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.389 . . . . 1.0 111.267 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -70.14 -149.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.594 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.4 mt -48.31 -29.25 3.7 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.172 0.511 . . . . 1.0 110.133 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.888 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -142.44 171.24 14.32 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.406 178.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -82.59 64.17 7.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 176.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.34 136.74 47.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.303 -1.317 . . . . 1.0 112.537 -177.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -70.2 161.15 30.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.279 178.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -62.58 73.68 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.261 -0.876 . . . . 1.0 110.946 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.833 0.349 . . . . 1.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 15.3 t0 -65.75 -72.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.23 162.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.52 169.29 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 115.608 -0.724 . . . . 1.0 113.837 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 2.5 mtpt -140.6 169.5 17.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.0 110.667 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 28' ' ' LEU . 4.2 mt -43.23 97.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.995 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.892 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.6 m-85 75.31 -1.12 3.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.142 0.423 . . . . 1.0 112.142 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 1.5 m -70.83 70.55 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 1.0 111.368 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.65 -146.32 0.01 OUTLIER Glycine 0 CA--C 1.518 0.24 0 CA-C-N 115.642 -0.708 . . . . 1.0 113.463 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 88.25 1.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.837 0.351 . . . . 1.0 110.773 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.06 -175.7 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -85.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.211 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.2 t-20 -56.91 -54.74 43.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.17 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.696 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.09 55.8 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.891 0.876 . . . . 1.0 112.303 -179.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 60.62 120.13 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.335 -0.848 . . . . 1.0 112.04 178.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.97 172.91 0.68 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.835 -1.075 . . . . 1.0 111.018 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.88 58.01 0.21 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.195 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.42 -67.39 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.518 -0.849 . . . . 1.0 111.692 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.507 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.03 158.55 21.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.767 0.317 . . . . 1.0 110.718 179.488 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -78.94 172.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.302 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.9 t -113.18 31.04 6.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.031 0.444 . . . . 1.0 111.195 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -70.37 -152.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.773 -0.649 . . . . 1.0 109.656 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -47.74 -28.98 2.75 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.12 0.486 . . . . 1.0 110.224 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.892 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.93 174.33 10.63 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.586 -0.734 . . . . 1.0 110.663 179.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -92.36 57.8 3.08 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 107.849 -1.167 . . . . 1.0 107.849 176.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.436 -1.256 . . . . 1.0 111.491 -178.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.938 HD13 HD21 ' A' ' 6' ' ' LEU . 4.8 mp -61.08 156.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.294 0.569 . . . . 1.0 110.658 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -67.69 71.03 0.13 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.396 -0.82 . . . . 1.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.477 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.237 -0.887 . . . . 1.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.3 t0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.816 0.341 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' O ' ' A' ' 3' ' ' CYS . 13.0 p-10 -56.51 -44.11 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.079 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.3 p 44.67 163.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.55 0.69 . . . . 1.0 112.849 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.0 169.48 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.319 -0.855 . . . . 1.0 113.721 -178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 9.8 mtmm -140.02 170.71 15.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.795 0.331 . . . . 1.0 110.609 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.702 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt -43.91 95.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.971 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.692 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 74.86 1.06 3.7 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.145 0.424 . . . . 1.0 112.145 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 2.5 m -70.78 68.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.949 0.404 . . . . 1.0 111.365 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.64 -146.58 0.01 OUTLIER Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.468 -0.787 . . . . 1.0 113.725 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.58 87.9 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.917 0.389 . . . . 1.0 110.691 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -70.02 -158.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.176 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 13' ' ' ASN . 4.7 t -61.49 -131.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.866 0.365 . . . . 1.0 111.128 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.501 ' N ' ' OG1' ' A' ' 12' ' ' THR . 25.1 t30 -45.41 -41.03 8.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.723 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.09 19.71 0.05 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.824 179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.2 m-20 -38.79 -49.49 1.62 Allowed 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 122.477 0.311 . . . . 1.0 111.797 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -179.53 123.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.363 0.601 . . . . 1.0 111.308 179.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 171.61 0.82 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.74 60.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.54 -0.755 . . . . 1.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.39 -66.89 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.598 -0.81 . . . . 1.0 111.552 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -87.45 165.49 15.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.595 -0.302 . . . . 1.0 110.575 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 28.0 m -87.04 175.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.337 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.4 t -113.44 30.88 6.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.057 0.456 . . . . 1.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -70.37 -153.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.784 -0.643 . . . . 1.0 109.58 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.4 mt -47.93 -28.87 2.93 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.163 0.506 . . . . 1.0 110.216 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.692 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.04 167.64 21.6 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.527 -0.761 . . . . 1.0 110.215 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.87 52.8 2.38 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.566 -0.901 . . . . 1.0 108.566 177.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.76 155.76 39.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.946 -1.025 . . . . 1.0 111.494 -179.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.702 ' CD1' HD21 ' A' ' 6' ' ' LEU . 6.1 mp -54.71 163.54 0.93 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.13 75.48 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.05 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.832 0.349 . . . . 1.0 111.222 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.5 t0 -65.73 -62.99 1.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 8.1 p 42.32 -178.18 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.955 -0.566 . . . . 1.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -43.34 168.79 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.384 0 CA-C-N 116.074 -0.512 . . . . 1.0 114.02 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 1.8 mtpt -123.76 -178.44 4.04 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 28' ' ' LEU . 2.4 mm? -69.97 113.51 7.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.539 0.209 . . . . 1.0 111.397 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.781 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.7 m-85 75.46 -6.9 1.89 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 111.933 0.345 . . . . 1.0 111.933 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.1 m -70.86 67.8 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.756 0.312 . . . . 1.0 111.656 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.55 -144.08 0.01 OUTLIER Glycine 0 N--CA 1.461 0.317 0 CA-C-N 115.573 -0.74 . . . . 1.0 113.797 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -137.49 97.68 3.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.864 0.364 . . . . 1.0 110.901 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.24 177.9 3.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.518 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -70.26 -81.76 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.413 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.1 t-20 -69.76 -59.21 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.683 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.1 29.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.426 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.5 t70 -54.93 53.95 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.922 0.889 . . . . 1.0 112.665 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.659 ' N ' ' O ' ' A' ' 14' ' ' ALA . 86.7 m 57.86 115.3 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.562 -0.744 . . . . 1.0 112.544 178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -48.93 167.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 1.0 110.751 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -70.5 62.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.42 -68.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.58 -0.819 . . . . 1.0 111.786 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.504 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -78.55 174.09 11.71 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.374 -0.232 . . . . 1.0 110.374 179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.0 m -91.54 170.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 t -108.95 30.83 6.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -70.33 -158.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.91 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.9 mp -46.63 -29.25 1.76 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.029 0.442 . . . . 1.0 110.473 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.781 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -137.25 171.1 14.99 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.798 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.668 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.8 t -88.71 55.07 3.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 114.959 -1.019 . . . . 1.0 108.597 177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.46 147.74 43.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.317 -1.311 . . . . 1.0 111.928 -178.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.04 162.82 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 1.0 110.903 178.431 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.81 73.19 0.06 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.026 -0.988 . . . . 1.0 110.824 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.244 -0.884 . . . . 1.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.815 0.34 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.2 t0 -65.69 -72.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.807 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.69 165.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.5 168.87 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.369 0 CA-C-N 115.658 -0.701 . . . . 1.0 113.902 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.0 mtpt -141.93 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.814 0.34 . . . . 1.0 110.77 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 28' ' ' LEU . 4.0 mm? -44.52 97.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.868 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.856 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 11.1 m-85 74.04 1.57 3.93 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 111.95 0.352 . . . . 1.0 111.95 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.78 68.97 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0 111.306 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.2 -145.88 0.01 OUTLIER Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.455 -0.793 . . . . 1.0 113.504 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.72 87.2 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.852 0.358 . . . . 1.0 110.786 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.02 -177.23 1.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.204 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -86.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.214 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 15' ' ' ASP . 4.6 t-20 -57.49 -53.64 55.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.833 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.19 28.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.691 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -54.91 54.8 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.952 0.901 . . . . 1.0 112.493 -179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.31 119.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.397 -0.819 . . . . 1.0 112.274 178.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.09 171.65 0.69 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.749 -1.114 . . . . 1.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.96 58.74 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.188 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.33 -67.65 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.494 -0.86 . . . . 1.0 111.843 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -84.43 156.28 21.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.357 . . . . 1.0 110.854 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.68 HG21 ' CD ' ' A' ' 23' ' ' ARG . 30.1 m -72.56 -179.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.278 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.9 t -128.19 28.82 5.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 1.0 111.756 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.68 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.4 -139.64 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.903 178.812 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.6 mp -53.42 -26.26 19.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.019 0.438 . . . . 1.0 110.394 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.856 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -146.07 173.49 12.14 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.464 0.65 . . . . 1.0 110.899 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -90.45 60.07 4.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.897 -1.047 . . . . 1.0 108.328 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.27 146.29 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.691 -1.14 . . . . 1.0 111.506 -178.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -70.05 162.54 28.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.536 0.684 . . . . 1.0 110.881 178.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.01 72.75 0.07 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.841 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.247 -0.882 . . . . 1.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.813 0.339 . . . . 1.0 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.3 t0 -65.69 -43.18 89.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.789 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.844 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.3 p 42.29 -177.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.016 -0.538 . . . . 1.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -48.37 175.08 0.02 OUTLIER Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.846 -0.615 . . . . 1.0 113.59 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.7 OUTLIER -136.37 172.24 13.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.716 0.293 . . . . 1.0 110.767 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 HD23 ' A' ' 28' ' ' LEU . 3.5 mm? -60.84 119.41 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.252 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.772 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.2 m-85 72.34 -4.1 2.12 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -71.0 69.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 1.0 111.575 -179.759 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.41 -144.1 0.01 OUTLIER Glycine 0 N--CA 1.46 0.249 0 CA-C-N 115.627 -0.715 . . . . 1.0 113.58 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.22 91.86 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.804 0.335 . . . . 1.0 110.927 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.09 -176.22 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.338 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -95.69 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.729 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.505 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.5 t30 -70.01 -67.19 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.311 . . . . 1.0 111.38 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.74 25.83 0.04 OUTLIER 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.689 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 13' ' ' ASN . 13.2 t0 -38.51 -44.42 0.94 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.352 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 170.92 121.26 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.526 0.679 . . . . 1.0 111.507 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.2 m -48.45 167.15 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.809 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.06 105.46 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.145 0.497 . . . . 1.0 111.848 -179.479 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.49 -56.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.687 -0.565 . . . . 1.0 111.687 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CE2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -98.66 161.31 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.538 -0.331 . . . . 1.0 110.875 179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.694 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.8 m -82.32 171.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.496 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.8 t -110.5 30.33 6.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 1.0 111.191 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.16 -158.24 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.011 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CB ' ' CE3' ' A' ' 25' ' ' TRP . 7.1 mt -43.43 -31.42 0.68 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.195 0.521 . . . . 1.0 110.34 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.04 172.14 13.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.41 178.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.2 m -89.5 57.7 4.07 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.947 -1.024 . . . . 1.0 108.786 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -72.57 148.3 45.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.101 -0.954 . . . . 1.0 111.488 -178.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.01 HD23 HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.44 161.87 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.473 0.654 . . . . 1.0 111.15 178.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.25 72.01 0.11 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.109 -0.951 . . . . 1.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.222 -0.894 . . . . 1.0 111.098 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.795 0.331 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 3' ' ' CYS . 28.0 t70 -65.71 -58.16 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.6 p 45.22 162.85 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.815 0.672 . . . . 1.0 112.815 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -43.83 169.66 0.01 OUTLIER Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 115.632 -0.713 . . . . 1.0 113.97 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.3 mtpt -140.19 169.84 16.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.649 0.262 . . . . 1.0 110.554 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.779 HD21 HD13 ' A' ' 28' ' ' LEU . 4.9 mt -43.29 98.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.977 0.362 . . . . 1.0 111.977 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 75.15 -1.01 3.17 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -70.81 69.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 1.0 111.488 -179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.13 -145.8 0.01 OUTLIER Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.756 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.62 93.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.825 0.345 . . . . 1.0 110.728 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.09 -175.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.41 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -67.97 -78.7 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.166 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 15' ' ' ASP . 22.3 t30 -70.07 -51.9 28.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.749 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.631 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.18 27.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.843 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.9 t0 -57.58 55.37 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.595 0.758 . . . . 1.0 112.254 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 66.5 120.81 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.411 -0.813 . . . . 1.0 112.17 178.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -60.17 173.8 0.6 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.764 -1.107 . . . . 1.0 110.883 179.098 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.85 52.89 0.15 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.791 -0.641 . . . . 1.0 112.433 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.53 -68.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.467 -0.873 . . . . 1.0 111.75 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -82.13 157.53 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.35 . . . . 1.0 110.761 179.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' HD3' ' A' ' 27' ' ' LYS . 35.4 m -77.9 171.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.409 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.2 t -112.0 31.45 6.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.055 0.455 . . . . 1.0 111.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.27 -154.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.63 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.89 -30.23 1.66 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.149 0.5 . . . . 1.0 110.304 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.73 172.9 12.19 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.439 178.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -89.13 61.12 5.67 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 177.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.88 143.57 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.357 -1.292 . . . . 1.0 111.632 -178.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -70.07 163.18 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.773 -0.649 . . . . 1.0 110.783 178.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -66.47 72.3 0.08 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.259 -0.877 . . . . 1.0 111.1 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.789 0.328 . . . . 1.0 111.191 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' O ' ' A' ' 3' ' ' CYS . 35.1 t0 -65.71 -40.79 92.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.814 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 2' ' ' ASP . 16.2 p 42.37 -179.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.407 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.96 170.59 0.01 OUTLIER Glycine 0 N--CA 1.433 -1.515 0 CA-C-N 115.873 -0.603 . . . . 1.0 113.527 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 5.4 mtpt -141.16 168.63 19.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 1.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.757 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -48.33 107.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.424 . . . . 1.0 111.693 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.8 m-85 73.19 -1.51 3.03 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER -71.04 70.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 1.0 111.496 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.08 -143.92 0.01 OUTLIER Glycine 0 CA--C 1.517 0.217 0 CA-C-N 115.702 -0.681 . . . . 1.0 113.414 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.28 81.73 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.91 0.386 . . . . 1.0 110.756 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -70.06 175.98 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.516 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.438 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' A' ' 15' ' ' ASP . 35.4 t30 -54.79 -57.57 11.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.785 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.642 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.45 32.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.116 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.3 t70 -39.33 -4.78 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.472 1.286 . . . . 1.0 114.472 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.642 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 92.76 102.81 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.884 0.849 . . . . 1.0 111.497 179.021 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.9 m -45.97 166.73 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.081 -1.418 . . . . 1.0 111.388 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.26 114.33 8.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.937 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.8 -51.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.412 -0.675 . . . . 1.0 111.412 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.94 154.16 20.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.285 -0.458 . . . . 1.0 110.822 179.653 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HD3' ' A' ' 23' ' ' ARG . 34.7 m -70.62 -177.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.332 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 t -133.07 26.67 4.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.186 0.517 . . . . 1.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -70.54 -136.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.066 179.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.01 -25.41 29.98 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.93 0.395 . . . . 1.0 110.419 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -147.18 174.04 11.97 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.604 0.716 . . . . 1.0 111.153 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -91.11 59.09 3.91 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.568 -1.196 . . . . 1.0 108.252 177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -71.97 145.28 48.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.655 -1.157 . . . . 1.0 111.882 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -70.25 160.95 31.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.531 0.681 . . . . 1.0 110.933 178.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -68.43 71.36 0.19 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.144 -0.935 . . . . 1.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.887 . . . . 1.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.812 0.339 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.5 t70 -65.71 -71.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.516 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.2 p 44.09 172.08 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.983 -0.553 . . . . 1.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -44.13 170.78 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.963 -0.562 . . . . 1.0 114.006 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 13.1 mtpp -142.02 172.58 12.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.627 -0.287 . . . . 1.0 110.502 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.911 HD21 HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -46.23 104.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.616 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.878 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 33.8 m-85 71.7 1.49 3.9 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.077 0.399 . . . . 1.0 112.077 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.43 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.88 68.52 0.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.944 0.402 . . . . 1.0 111.353 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.42 -145.78 0.01 OUTLIER Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.483 -0.78 . . . . 1.0 113.665 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 m -146.25 85.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.87 0.367 . . . . 1.0 110.931 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -70.06 176.4 3.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.275 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.05 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.4 t30 -56.32 -50.88 70.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.668 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.729 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.32 30.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.413 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.1 t0 -50.02 54.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.299 1.039 . . . . 1.0 112.984 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.729 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER 56.39 122.59 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.32 -0.855 . . . . 1.0 112.783 178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 16.4 m -51.59 161.26 0.52 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.845 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.55 58.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.999 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -67.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.704 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.89 154.73 25.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 1.0 110.807 179.435 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 23' ' ' ARG . 28.7 m -70.13 -174.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.088 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.57 29.5 3.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.916 0.389 . . . . 1.0 111.64 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -70.4 -137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.936 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 24' ' ' LEU . 2.3 mp -50.66 -31.52 16.52 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.171 0.51 . . . . 1.0 110.114 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.878 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.36 172.37 13.26 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.543 -0.753 . . . . 1.0 110.309 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -84.0 63.96 7.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.143 -1.058 . . . . 1.0 108.143 177.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HG3' ' CE3' ' A' ' 30' ' ' TRP . 4.7 tptt -71.61 146.35 48.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.64 -1.164 . . . . 1.0 112.29 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.911 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.31 159.2 34.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.276 0.56 . . . . 1.0 110.352 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.09 74.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.261 -0.881 . . . . 1.0 111.063 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.512 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.24 -0.886 . . . . 1.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.87 0.367 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.56 ' O ' ' O ' ' A' ' 3' ' ' CYS . 21.8 t0 -65.72 -47.4 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.81 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.4 p 44.54 165.07 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.13 167.12 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.38 0 CA-C-N 115.405 -0.816 . . . . 1.0 113.995 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 6.7 mtpt -140.79 174.96 10.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.863 0.363 . . . . 1.0 110.716 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 28' ' ' LEU . 4.1 mm? -46.24 96.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.524 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.926 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 5.8 m-85 74.14 4.4 4.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.962 0.356 . . . . 1.0 111.962 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.426 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.7 69.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 111.134 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.42 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.389 -0.823 . . . . 1.0 113.621 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 84.27 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.665 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.09 -171.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 1.0 111.316 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -82.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.248 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.4 t-20 -66.16 -65.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 1.0 112.047 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' ASN . 32.1 t70 -38.71 -52.89 1.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.806 0.299 . . . . 1.0 111.806 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 178.41 120.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.373 0.606 . . . . 1.0 111.016 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -57.55 170.71 0.52 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.096 -0.956 . . . . 1.0 111.531 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -70.68 59.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.507 -0.769 . . . . 1.0 112.22 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.17 -67.05 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.667 -0.778 . . . . 1.0 111.534 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.573 ' HD2' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -84.42 157.77 21.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.879 0.371 . . . . 1.0 110.82 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.9 m -80.4 -179.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.2 t -117.58 33.92 5.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.953 0.406 . . . . 1.0 111.252 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -70.1 -153.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.523 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.1 mt -47.42 -29.27 2.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.172 0.51 . . . . 1.0 110.219 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.926 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.48 171.12 14.57 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.361 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -83.12 64.02 7.45 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 107.446 -1.316 . . . . 1.0 107.446 176.664 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -71.11 136.97 48.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.184 -1.371 . . . . 1.0 112.481 -177.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.22 160.74 31.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.307 178.433 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 73.61 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.281 -0.872 . . . . 1.0 110.777 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.209 -0.9 . . . . 1.0 110.954 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.784 0.326 . . . . 1.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 3' ' ' CYS . 18.2 t70 -65.73 -72.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.797 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' O ' ' A' ' 2' ' ' ASP . 2.6 p 44.09 170.75 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.623 0.601 . . . . 1.0 112.623 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -47.93 169.37 0.08 OUTLIER Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 115.955 -0.566 . . . . 1.0 113.739 -178.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.779 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.2 mtpt -127.99 164.43 22.36 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.341 -0.244 . . . . 1.0 110.341 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 7' ' ' PHE . 1.5 mt -42.62 105.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 6' ' ' LEU . 12.3 m-85 72.73 -3.36 2.4 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.4 m -70.54 72.25 0.5 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.754 0.311 . . . . 1.0 111.742 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.27 -145.85 0.01 OUTLIER Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.69 -0.687 . . . . 1.0 113.816 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.49 93.73 2.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 1.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.11 175.3 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 1.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.0 p -67.24 -94.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 17.3 t-20 -57.26 -45.54 83.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.993 0.425 . . . . 1.0 110.476 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.738 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.38 29.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.502 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 1.3 m-20 -48.59 57.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.214 1.006 . . . . 1.0 112.637 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.738 ' N ' ' O ' ' A' ' 14' ' ' ALA . 3.7 m 58.63 126.87 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.045 -0.98 . . . . 1.0 112.467 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 57.9 m -51.4 167.87 0.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.152 -0.931 . . . . 1.0 111.283 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.26 9.58 0.74 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.832 0.678 . . . . 1.0 112.832 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.64 -64.59 0.73 Allowed Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.192 -1.004 . . . . 1.0 111.934 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -81.33 167.13 19.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.577 0.227 . . . . 1.0 110.6 179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -86.48 -167.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.282 . . . . 1.0 110.955 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -130.8 31.31 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.424 . . . . 1.0 111.242 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -70.38 -146.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.501 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.8 -26.47 5.74 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 121.102 0.477 . . . . 1.0 110.247 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.772 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.49 172.68 12.63 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.786 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.779 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -87.65 55.21 3.4 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.822 -1.177 . . . . 1.0 107.822 176.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -73.03 148.19 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.446 -1.252 . . . . 1.0 111.58 -178.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -55.15 155.85 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.689 178.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.01 74.32 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.424 -0.807 . . . . 1.0 111.285 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.26 -0.876 . . . . 1.0 110.866 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.815 0.341 . . . . 1.0 111.2 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.553 ' O ' ' O ' ' A' ' 3' ' ' CYS . 36.0 t0 -65.71 -54.65 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.553 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.8 p 44.7 165.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.774 0.657 . . . . 1.0 112.774 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -42.65 169.01 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.647 -0.706 . . . . 1.0 113.841 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 28.7 mtpt -141.71 171.16 14.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 1.0 110.89 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -44.63 98.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.828 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.56 0.55 3.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.892 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.74 69.29 0.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.894 0.378 . . . . 1.0 111.331 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 30.89 -145.59 0.01 OUTLIER Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.492 -0.776 . . . . 1.0 113.561 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.45 86.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.835 0.35 . . . . 1.0 110.8 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.0 -176.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.04 -87.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.273 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 15' ' ' ASP . 34.3 t30 -56.49 -53.74 53.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.667 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.13 28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.669 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -54.89 54.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.97 0.908 . . . . 1.0 112.489 -179.089 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 59.28 119.0 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 1.0 112.203 178.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.68 171.77 0.6 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.912 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.84 55.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.78 -0.645 . . . . 1.0 112.439 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.99 -68.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.4 -0.905 . . . . 1.0 111.825 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -83.2 156.14 23.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 1.0 110.891 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG21 ' CD ' ' A' ' 23' ' ' ARG . 27.1 m -72.35 -179.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.264 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.4 t -127.93 29.07 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.992 0.425 . . . . 1.0 111.76 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.674 ' CD ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.35 -139.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.773 178.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.8 mp -53.95 -25.78 22.29 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.006 0.432 . . . . 1.0 110.361 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -145.48 174.11 11.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.514 0.673 . . . . 1.0 110.898 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.04 60.07 4.22 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 107.908 -1.145 . . . . 1.0 107.908 177.043 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -71.97 145.71 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.51 -1.223 . . . . 1.0 111.6 -178.422 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -70.11 160.44 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.688 . . . . 1.0 110.896 178.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 71.9 0.18 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.142 -0.936 . . . . 1.0 110.747 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.483 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.247 -0.882 . . . . 1.0 111.206 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.782 0.325 . . . . 1.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.1 t70 -65.71 -34.87 79.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.832 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 13.4 p 42.36 -179.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.337 0.589 . . . . 1.0 112.375 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -51.6 173.69 0.17 Allowed Glycine 0 N--CA 1.43 -1.71 0 CA-C-N 115.78 -0.646 . . . . 1.0 113.527 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -130.2 169.39 15.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.595 0.236 . . . . 1.0 110.696 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.77 HD22 ' CE2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.57 118.87 7.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.49 -179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.77 ' CE2' HD22 ' A' ' 6' ' ' LEU . 18.5 m-85 72.88 -7.48 1.46 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' GLY . 1.9 m -71.12 67.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 1.0 111.664 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 27.54 -143.37 0.01 OUTLIER Glycine 0 N--CA 1.461 0.315 0 CA-C-N 115.594 -0.73 . . . . 1.0 113.716 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.9 m -136.75 88.76 2.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.944 0.402 . . . . 1.0 110.733 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -70.18 -159.91 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.595 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -57.63 -158.16 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.12 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -41.28 -42.65 2.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.982 0.42 . . . . 1.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.832 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.43 27.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.282 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 13' ' ' ASN . 2.4 m-20 -38.46 -43.37 0.83 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.452 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER 172.14 124.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 1.0 111.866 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 m -48.66 170.59 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.03 -0.987 . . . . 1.0 110.765 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -70.17 106.95 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.093 0.473 . . . . 1.0 111.9 -179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.85 -55.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.661 -0.575 . . . . 1.0 111.661 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -102.37 171.55 7.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.372 . . . . 1.0 110.892 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.627 HG23 ' HD3' ' A' ' 27' ' ' LYS . 5.0 m -96.39 174.63 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.583 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.0 t -106.8 30.96 5.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.293 0.568 . . . . 1.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.09 -160.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.608 -0.723 . . . . 1.0 110.176 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 5.9 mt -43.93 -31.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.201 0.524 . . . . 1.0 110.28 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.601 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.01 166.97 22.77 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.033 178.74 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -84.95 52.58 2.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.647 -0.706 . . . . 1.0 109.168 177.699 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HD3' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.02 156.66 38.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.383 -0.826 . . . . 1.0 111.522 -179.249 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' CD1' HD21 ' A' ' 6' ' ' LEU . 11.0 mp -52.18 165.29 0.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.211 0.529 . . . . 1.0 110.386 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.1 76.38 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.065 -0.97 . . . . 1.0 111.371 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.848 0.356 . . . . 1.0 111.192 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' CYS . 20.7 t0 -65.74 -33.03 74.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.817 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.756 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 17.3 p 42.27 -178.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.942 -0.572 . . . . 1.0 112.392 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -49.37 173.11 0.06 OUTLIER Glycine 0 N--CA 1.431 -1.665 0 CA-C-N 115.764 -0.653 . . . . 1.0 113.553 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 4.1 mtpt -131.48 173.22 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.921 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.771 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.9 mm? -62.13 121.2 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.366 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.83 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 18.7 m-85 71.51 -4.44 1.86 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 111.965 0.357 . . . . 1.0 111.965 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' GLY . 2.1 m -70.8 69.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 1.0 111.54 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 29.55 -144.79 0.01 OUTLIER Glycine 0 N--CA 1.461 0.314 0 CA-C-N 115.58 -0.736 . . . . 1.0 113.66 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.89 91.79 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.831 0.348 . . . . 1.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -70.07 -173.71 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.62 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -70.59 -103.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.647 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 15' ' ' ASP . 32.3 t30 -68.46 -65.29 0.72 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.731 0.301 . . . . 1.0 111.172 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 24.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.298 -0.41 . . . . 1.0 111.582 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 13' ' ' ASN . 11.5 t0 -38.82 -44.93 1.09 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.447 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 0.8 OUTLIER 173.9 121.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.41 0.624 . . . . 1.0 111.475 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -46.6 166.01 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.965 -1.016 . . . . 1.0 110.941 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -70.08 102.39 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 1.0 111.81 -179.493 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.79 -57.89 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.789 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD2' HD22 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -94.21 167.94 11.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 1.0 111.004 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.0 170.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -108.03 31.5 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 1.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -70.26 -154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.785 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.601 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -47.4 -28.87 2.28 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.034 0.445 . . . . 1.0 110.381 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.83 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -140.63 173.89 11.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.558 0.694 . . . . 1.0 110.882 179.294 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -88.79 55.61 3.43 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.671 -1.15 . . . . 1.0 108.378 176.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -72.87 144.23 47.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.968 -1.014 . . . . 1.0 111.579 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.771 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -62.97 158.01 20.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.292 0.568 . . . . 1.0 110.826 178.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.8 71.72 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.377 -0.829 . . . . 1.0 111.063 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.485 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.189 -0.91 . . . . 1.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.811 0.338 . . . . 1.0 111.157 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.545 ' O ' ' O ' ' A' ' 3' ' ' CYS . 17.6 t0 -65.64 -54.99 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' O ' ' O ' ' A' ' 2' ' ' ASP . 4.2 p 44.1 168.73 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.81 0.67 . . . . 1.0 112.81 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.81 168.08 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.877 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 4.1 mtpp -141.42 173.08 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.861 0.362 . . . . 1.0 110.748 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD21 ' CD1' ' A' ' 28' ' ' LEU . 3.1 mm? -46.08 96.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.714 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.912 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER 74.39 3.52 4.33 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.818 179.363 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -70.59 69.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.005 0.431 . . . . 1.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 31.51 -145.59 0.01 OUTLIER Glycine 0 N--CA 1.459 0.2 0 CA-C-N 115.386 -0.825 . . . . 1.0 113.538 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.34 85.81 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.833 0.349 . . . . 1.0 110.912 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -70.1 -172.15 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.207 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -87.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' ASP . 7.7 t-20 -62.07 -62.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.87 22.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.979 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' ASN . 26.2 t70 -38.41 -57.18 1.16 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 122.471 0.309 . . . . 1.0 111.759 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.72 119.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.46 0.648 . . . . 1.0 111.475 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.11 169.07 0.59 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.006 -0.997 . . . . 1.0 111.285 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.82 59.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 1.0 112.267 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.6 -67.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.541 -0.838 . . . . 1.0 111.737 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -84.49 158.25 21.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.815 0.34 . . . . 1.0 110.799 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.36 -176.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.1 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.3 t -136.54 27.92 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 1.0 111.334 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -114.72 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.112 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.68 -30.49 67.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.164 0.507 . . . . 1.0 109.997 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.912 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.29 175.22 10.26 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.456 -0.793 . . . . 1.0 110.768 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -92.94 53.95 2.09 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 114.887 -1.051 . . . . 1.0 108.27 177.002 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 1.7 tttt -72.96 147.89 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.245 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -55.56 156.26 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.222 0.535 . . . . 1.0 110.674 178.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.69 74.34 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.393 -0.821 . . . . 1.0 111.213 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.457 ' CE3' ' CG ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.285 -0.864 . . . . 1.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.802 0.334 . . . . 1.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 3' ' ' CYS . 14.0 p-10 -56.49 -42.25 77.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.526 ' O ' ' O ' ' A' ' 2' ' ' ASP . 1.9 p 44.37 169.58 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.635 0.605 . . . . 1.0 112.635 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.26 167.44 0.39 Allowed Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 121.139 -0.553 . . . . 1.0 113.859 -178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.744 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 3.0 mtpt -129.37 165.04 22.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.561 -0.32 . . . . 1.0 110.555 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.652 HD21 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -41.32 111.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.358 0.503 . . . . 1.0 112.358 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.881 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.9 m-85 68.27 -6.32 0.79 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.667 0.618 . . . . 1.0 112.667 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 3.3 m -70.91 73.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 1.0 111.633 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.17 -146.46 0.01 OUTLIER Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.923 -0.581 . . . . 1.0 113.596 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -156.38 89.89 1.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.806 0.336 . . . . 1.0 110.852 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.05 -177.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.199 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -86.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.101 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 15' ' ' ASP . 26.0 t30 -55.21 -56.54 18.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' A' ' 16' ' ' CYS . . . -71.28 30.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.396 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -53.12 55.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.055 0.942 . . . . 1.0 112.457 -178.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.5 m 59.5 122.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.199 -0.909 . . . . 1.0 112.265 178.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 27.1 m -46.16 162.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.139 -0.937 . . . . 1.0 111.014 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.5 59.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.27 -66.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.658 -0.782 . . . . 1.0 111.775 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.78 160.53 28.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.694 0.283 . . . . 1.0 110.513 179.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 m -78.6 170.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 111.537 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.2 t -109.02 30.46 6.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.533 . . . . 1.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -70.31 -156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.856 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 mt -47.13 -28.84 1.95 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.0 0.429 . . . . 1.0 110.426 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.881 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.88 173.91 11.07 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.569 0.699 . . . . 1.0 110.975 179.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.744 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -88.54 58.47 4.7 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.597 -1.183 . . . . 1.0 108.151 176.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -72.85 142.43 47.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.663 -1.153 . . . . 1.0 111.277 -178.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.652 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.41 157.36 17.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.378 0.609 . . . . 1.0 110.681 178.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -67.46 71.24 0.12 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.333 -0.849 . . . . 1.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.5 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.21 -0.9 . . . . 1.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.825 0.345 . . . . 1.0 111.249 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' CYS . 19.4 t70 -65.73 -56.75 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.97 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 25.6 p 42.16 -174.55 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.96 -0.564 . . . . 1.0 112.204 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -40.57 171.3 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.189 0 CA-C-N 115.748 -0.66 . . . . 1.0 114.229 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.624 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 16.7 mtpt -141.26 -169.75 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.317 -0.253 . . . . 1.0 110.317 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 28' ' ' LEU . 2.5 mt -70.63 103.34 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.764 -0.198 . . . . 1.0 111.231 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.867 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.1 m-85 74.36 2.9 4.23 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 111.922 0.342 . . . . 1.0 111.922 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -70.46 69.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 1.0 111.405 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 30.72 -147.41 0.01 OUTLIER Glycine 0 N--CA 1.461 0.339 0 CA-C-N 115.447 -0.797 . . . . 1.0 113.645 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 32.4 m -138.21 94.06 2.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.849 0.357 . . . . 1.0 110.724 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 5.5 m-20 -70.14 -177.22 1.33 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.607 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -95.97 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 1.0 111.982 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 15' ' ' ASP . 11.0 t30 -69.49 -67.66 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.795 0.331 . . . . 1.0 111.277 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.97 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.59 24.93 0.04 OUTLIER 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.431 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 13' ' ' ASN . 34.5 t0 -38.41 -70.68 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.707 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB3' ' CD1' ' A' ' 20' ' ' TYR . 95.9 m -157.05 115.59 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.045 0.45 . . . . 1.0 111.415 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.4 m -52.52 169.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.793 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -70.13 86.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.02 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.7 -62.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.875 -0.679 . . . . 1.0 111.838 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -93.02 171.09 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.29 . . . . 1.0 110.869 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.28 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.65 29.47 4.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 1.0 111.227 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -70.55 -118.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -70.15 -24.33 63.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.037 0.446 . . . . 1.0 110.282 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.867 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -149.29 174.46 12.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.555 0.693 . . . . 1.0 110.958 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 11.6 t -90.8 50.23 1.77 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.819 -1.178 . . . . 1.0 107.819 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -72.59 145.69 47.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.034 -1.439 . . . . 1.0 112.095 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 6' ' ' LEU . 7.2 mp -63.31 157.78 22.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.318 0.58 . . . . 1.0 110.692 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -66.55 72.03 0.08 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.349 -0.841 . . . . 1.0 110.935 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.472 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.284 -0.865 . . . . 1.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.825 0.345 . . . . 1.0 111.24 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' CYS . 22.2 t70 -65.69 -34.0 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.976 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 16.2 p 42.49 -178.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.951 -0.568 . . . . 1.0 112.41 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 16' ' ' CYS . . . -41.83 169.57 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 114.002 -178.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 31.3 mtpt -141.75 -170.46 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 28' ' ' LEU . 2.6 mm? -70.31 102.18 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.158 -0.217 . . . . 1.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.6 m-85 74.71 2.98 4.17 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 m -70.45 70.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 1.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 31.84 -145.97 0.01 OUTLIER Glycine 0 N--CA 1.459 0.217 0 CA-C-N 115.409 -0.814 . . . . 1.0 113.537 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -142.64 96.61 2.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 1.0 111.117 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -70.11 -177.52 1.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.241 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -95.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.42 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 15' ' ' ASP . 37.3 t30 -69.71 -64.12 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 111.065 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.976 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.66 23.09 0.04 OUTLIER 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.816 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 13' ' ' ASN . 18.1 t0 -38.79 -65.6 0.35 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.64 -179.485 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 84.6 m -155.6 117.34 4.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.027 0.441 . . . . 1.0 111.499 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.99 174.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.992 179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -70.31 61.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 1.0 112.039 -179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.85 -67.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 1.0 111.669 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' CD1' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -88.86 162.05 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.64 0.257 . . . . 1.0 110.589 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -82.33 -166.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.05 -179.394 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' H ' HG12 ' A' ' 21' ' ' VAL . 46.7 t -136.29 28.53 3.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.145 0.498 . . . . 1.0 111.282 -179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD2' HG11 ' A' ' 21' ' ' VAL . 4.4 mtp180 -70.42 -140.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.637 . . . . 1.0 109.741 178.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 24' ' ' LEU . 4.9 mp -52.03 -26.78 11.61 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 1.0 110.15 178.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -144.37 175.04 10.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.626 0.727 . . . . 1.0 110.749 179.372 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.666 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.9 t -95.43 54.96 1.66 Allowed 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.61 -1.177 . . . . 1.0 108.216 177.372 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -73.01 147.67 44.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.96 -1.473 . . . . 1.0 111.883 -178.666 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.734 ' CD1' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -62.06 157.06 19.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 1.0 110.712 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.33 71.43 0.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.238 -0.886 . . . . 1.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.837 0.351 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.7 -31.82 73.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.6 p -53.92 169.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.591 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.6 167.81 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 115.666 -0.697 . . . . 1.0 114.256 -178.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 18.2 mtpt -140.97 174.37 10.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.504 -0.348 . . . . 1.0 110.424 179.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -44.82 96.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.677 -179.803 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.865 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 4.5 m-85 75.46 1.43 3.63 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 111.957 0.354 . . . . 1.0 111.957 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.77 71.86 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 1.0 111.565 -179.879 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 31.57 -146.78 0.01 OUTLIER Glycine 0 N--CA 1.46 0.268 0 CA-C-N 115.689 -0.687 . . . . 1.0 113.751 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.16 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 1.0 110.768 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.08 -169.03 0.25 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.407 -179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.98 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 15' ' ' ASP . 14.7 t-20 -64.76 -61.3 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.97 24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.837 179.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 13' ' ' ASN . 8.6 t0 -38.63 -55.72 1.41 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.148 0.425 . . . . 1.0 112.148 -178.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -176.52 123.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.355 0.598 . . . . 1.0 112.227 -179.862 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 23.4 m -49.7 159.8 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.07 -0.968 . . . . 1.0 110.947 179.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pm0 -70.58 58.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.959 -179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.0 -67.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.7 -0.762 . . . . 1.0 111.652 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.83 172.24 14.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.706 0.289 . . . . 1.0 110.655 179.35 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.99 176.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.177 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.9 t -116.73 30.84 7.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 1.0 111.226 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -70.33 -151.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.605 178.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -48.27 -28.59 3.18 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 121.124 0.488 . . . . 1.0 110.211 179.037 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.865 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -139.09 172.94 12.1 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.569 179.235 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -92.07 53.81 2.25 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.76 -1.2 . . . . 1.0 107.76 176.614 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -72.52 146.37 46.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.596 -1.184 . . . . 1.0 111.665 -178.532 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 20' ' ' TYR . 1.1 mp -59.84 157.83 11.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.539 . . . . 1.0 110.759 178.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -65.51 72.92 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.398 -0.819 . . . . 1.0 111.009 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.495 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.232 -0.89 . . . . 1.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.838 0.351 . . . . 1.0 111.201 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.66 121.39 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.851 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.4 p -109.78 178.1 4.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.297 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -40.52 167.49 0.01 OUTLIER Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 115.719 -0.673 . . . . 1.0 114.143 -178.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 2.6 mtmm -140.75 169.24 18.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.822 0.344 . . . . 1.0 110.777 179.489 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 28' ' ' LEU . 4.5 mm? -45.39 104.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.894 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.943 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 8.2 m-85 70.05 4.04 4.63 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 69.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 32.38 -147.29 0.01 OUTLIER Glycine 0 CA--C 1.517 0.204 0 CA-C-N 115.366 -0.834 . . . . 1.0 113.621 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -145.1 78.26 1.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.81 0.338 . . . . 1.0 110.594 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 14.4 m-20 -55.78 -170.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.388 -179.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.251 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 15' ' ' ASP . 23.4 t30 -70.15 -57.44 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 1.0 111.197 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.851 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.73 20.62 0.04 OUTLIER 'General case' 0 C--O 1.235 0.291 0 N-CA-C 112.288 0.477 . . . . 1.0 112.288 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -38.89 -48.52 1.57 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.828 0.347 . . . . 1.0 111.141 -179.713 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.49 122.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.287 0.565 . . . . 1.0 111.453 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.44 168.24 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.375 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.1 64.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.0 -65.0 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.363 -0.922 . . . . 1.0 112.864 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -87.02 -175.21 5.26 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-O 120.725 0.297 . . . . 1.0 110.914 -179.075 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -95.04 -164.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.154 179.197 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' H ' HG12 ' A' ' 21' ' ' VAL . 42.2 t -145.65 29.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.22 0.533 . . . . 1.0 111.023 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.76 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.056 179.278 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 25' ' ' TRP . 3.5 mt -70.58 -21.11 62.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.98 0.419 . . . . 1.0 110.317 178.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.943 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -155.91 175.32 14.1 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.5 0.667 . . . . 1.0 111.159 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -80.85 68.33 7.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.13 -1.433 . . . . 1.0 107.13 176.359 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' C ' ' HB3' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -72.4 107.11 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.86 -1.518 . . . . 1.0 111.95 -177.913 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -50.08 162.03 0.23 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.491 . . . . 1.0 110.753 179.464 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.61 74.31 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.739 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.96 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.772 0.32 . . . . 1.0 111.155 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' O ' ' O ' ' A' ' 3' ' ' CYS . 6.7 p-10 -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.035 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.835 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.2 p 43.64 172.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.695 0.628 . . . . 1.0 112.695 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.82 168.49 0.01 OUTLIER Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 115.475 -0.784 . . . . 1.0 113.784 -178.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 15.5 mtpt -141.05 169.82 16.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.928 0.394 . . . . 1.0 111.056 179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.86 HD11 ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.03 100.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.905 -179.817 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.824 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 12.1 m-85 71.74 3.4 4.65 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.065 0.395 . . . . 1.0 112.065 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.65 67.17 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.996 0.427 . . . . 1.0 111.324 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 29.11 -146.62 0.01 OUTLIER Glycine 0 CA--C 1.519 0.313 0 CA-C-N 115.297 -0.865 . . . . 1.0 114.004 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.02 74.74 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.9 0.381 . . . . 1.0 110.457 179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.03 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.669 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 p -62.11 -142.27 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 31.2 t30 -42.52 -40.09 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.987 0.422 . . . . 1.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.835 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.98 23.62 0.04 OUTLIER 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.625 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 7.1 m-20 -38.69 -50.24 1.62 Allowed 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 122.73 0.412 . . . . 1.0 111.781 -179.022 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.533 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER 179.03 122.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.433 0.635 . . . . 1.0 111.78 179.712 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -54.17 169.77 0.16 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.966 -1.016 . . . . 1.0 111.329 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.68 60.3 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.379 -179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.23 -67.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.642 -0.789 . . . . 1.0 111.551 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -90.19 153.17 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.788 0.328 . . . . 1.0 110.737 179.296 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG11 HH11 ' A' ' 23' ' ' ARG . 34.3 m -73.43 -170.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.672 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.51 29.6 1.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.931 0.396 . . . . 1.0 111.554 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.644 HH11 HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -70.28 -122.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.559 178.849 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.36 -23.37 62.48 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 121.143 0.497 . . . . 1.0 109.821 178.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.824 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -156.65 171.92 19.5 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.427 179.441 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -88.8 60.71 5.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 177.195 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -72.93 149.24 43.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.302 -1.317 . . . . 1.0 111.723 -178.819 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.86 ' CD1' HD11 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -70.22 162.6 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.528 0.68 . . . . 1.0 110.984 178.491 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.82 72.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.08 -0.963 . . . . 1.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.241 -0.885 . . . . 1.0 111.049 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 1.0 111.184 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.74 81.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 6.5 p -58.91 179.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.311 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 16' ' ' CYS . . . -50.9 171.61 0.18 Allowed Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.896 -0.593 . . . . 1.0 113.665 -179.002 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -121.93 175.04 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 1.0 110.889 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.766 HD11 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -64.99 124.2 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.327 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.0 m-85 71.8 -7.19 1.3 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.3 m -70.82 70.45 0.48 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.694 0.283 . . . . 1.0 111.676 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 8' ' ' SER . . . 28.13 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.462 0.384 0 CA-C-N 115.753 -0.658 . . . . 1.0 113.578 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.3 m -134.1 96.77 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.865 0.364 . . . . 1.0 110.705 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.08 170.64 11.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.626 -179.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -70.49 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.628 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' A' ' 15' ' ' ASP . 13.6 t-20 -70.19 -65.82 0.68 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.237 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -71.04 31.87 0.04 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.369 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 13' ' ' ASN . 28.4 t0 -54.03 55.17 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.896 0.879 . . . . 1.0 112.082 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 14' ' ' ALA . 1.1 m 60.59 123.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.123 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 m -44.27 165.04 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.801 -1.09 . . . . 1.0 111.246 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.8 pt-20 -70.47 72.71 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 1.0 112.106 -179.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -148.82 -67.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.622 -0.799 . . . . 1.0 111.804 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -77.69 165.15 24.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.686 0.279 . . . . 1.0 110.507 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 m -84.91 170.52 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.333 . . . . 1.0 111.308 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -106.68 31.21 5.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.262 0.553 . . . . 1.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -160.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.238 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -44.29 -30.2 0.78 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.105 0.478 . . . . 1.0 110.54 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -138.75 174.35 10.62 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 121.609 0.719 . . . . 1.0 110.903 179.135 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.1 m -86.78 58.42 5.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.561 -1.2 . . . . 1.0 108.505 176.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -73.01 140.95 47.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.303 -179.04 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.766 ' CD1' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.02 158.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.367 0.603 . . . . 1.0 110.995 178.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -64.12 74.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.252 -0.886 . . . . 1.0 111.055 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.507 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.264 -0.874 . . . . 1.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.794 0.33 . . . . 2.49 111.2 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' O ' ' A' ' 3' ' ' CYS . 16.2 t0 -65.89 -51.87 54.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 2.22 110.835 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.749 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 2.9 p 44.45 166.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.783 0.661 . . . . 0.63 112.783 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -41.51 168.67 0.01 OUTLIER Glycine 0 N--CA 1.435 -1.424 0 CA-C-N 115.457 -0.792 . . . . 0.51 113.857 -178.782 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 22.5 mtpt -140.15 171.11 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.924 0.392 . . . . 2.32 110.93 179.481 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 28' ' ' LEU . 7.4 mt -47.91 100.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 1.57 111.516 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.907 ' HA ' ' HB2' ' A' ' 25' ' ' TRP . 6.6 m-85 75.89 1.87 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.362 -0.381 . . . . 1.08 111.967 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB2' ' H ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER -70.46 69.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.946 0.403 . . . . 0.47 111.308 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 30.92 -146.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.395 -0.821 . . . . 0.37 113.87 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.09 88.01 1.78 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.85 110.663 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.04 -177.71 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.177 -0.465 . . . . 1.44 111.467 -179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -86.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.066 -0.516 . . . . 1.34 111.331 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASP . 12.6 t-20 -67.84 -65.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.122 -0.49 . . . . 2.15 110.769 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . -70.84 23.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 0.97 111.738 179.484 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ASN . 42.3 t0 -38.86 -54.53 1.62 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.152 0.427 . . . . 2.14 112.152 -179.071 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -174.77 122.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.362 0.601 . . . . 1.13 111.64 -179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 170.3 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.103 -0.953 . . . . 1.19 111.309 179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -70.9 59.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.536 -0.756 . . . . 1.98 112.244 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.65 -67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.57 -0.824 . . . . 0.58 111.668 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.18 158.01 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.823 0.344 . . . . 1.68 110.743 179.471 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 20.8 m -78.72 -177.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.79 111.204 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.8 t -124.87 31.07 5.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.218 0.532 . . . . 0.81 111.06 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -70.35 -144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.781 -0.645 . . . . 3.12 109.505 178.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.95 -26.81 6.43 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 121.185 0.517 . . . . 0.84 110.149 178.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.907 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.568 -0.742 . . . . 0.86 110.705 179.416 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -91.95 57.8 3.23 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 107.785 -1.191 . . . . 0.76 107.785 176.713 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -72.16 144.39 48.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.471 -1.24 . . . . 1.92 111.53 -178.485 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.42 158.06 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.339 0.59 . . . . 1.19 110.914 179.013 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -64.83 73.55 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.363 -0.835 . . . . 1.23 111.032 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CE3' ' HG2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 1.85 110.94 179.942 . . . . . . . . 2 2 . 1 stop_ save_