data_2n5q_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 2n5q _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -90.0 105.47 17.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.69 110.11 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.48 176.84 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm-85 -131.56 -70.96 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.417 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -94.14 -84.68 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.389 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.33 -43.86 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.0 111.206 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -137.01 45.57 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.81 55.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.14 -81.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.411 ' ND2' HG13 ' A' ' 15' ' ' ILE . 53.0 p30 -161.3 -173.31 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.028 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.43 -19.69 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.497 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.411 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -78.66 -62.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.177 0.513 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.501 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.11 105.43 17.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.627 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -123.21 12.2 9.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.418 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 32.2 mm -111.47 84.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.77 79.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.796 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 ttt-85 -79.81 -155.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -37.51 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.0 20.48 41.9 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ARG . 90.9 m -138.12 162.22 34.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 111.489 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.5 m -92.94 127.31 38.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.24 151.43 37.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 111.347 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.17 -3.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.526 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.411 -179.333 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.56 102.54 14.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.65 110.71 0.11 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.352 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -100.57 -179.58 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -134.56 -70.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.886 0.374 . . . . 0.0 111.441 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -95.25 -85.09 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -131.65 -45.56 0.97 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 0.0 111.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.5 p -136.16 46.97 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -78.6 55.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.25 -87.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.68 -167.05 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.23 -16.37 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -65.72 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.228 0.537 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' HG11 ' A' ' 26' ' ' VAL . 3.5 m-90 -95.89 106.26 18.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.78 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -123.44 12.29 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.272 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 5.1 mp -110.43 83.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 120.9 0.381 . . . . 0.0 110.223 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.84 79.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -80.12 -154.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -37.28 72.31 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.64 20.71 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.871 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.1 m -138.63 161.42 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.5 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.8 m -92.1 126.65 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.494 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.555 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -116.38 150.83 37.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.16 -4.21 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.274 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 6.8 tp . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.291 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.943 0.401 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -69.18 90.86 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.9 mm-40 -30.07 121.3 0.18 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 111.813 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.39 177.93 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.975 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -134.76 -44.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 m -119.17 -86.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.446 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -136.41 -44.28 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.874 0.368 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.42 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -132.93 41.72 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.689 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.74 55.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -151.94 -88.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.25 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -160.83 176.44 11.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.922 0.392 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.8 pp -56.29 -21.18 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 14' ' ' ILE . 1.9 mt -75.63 -61.1 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.588 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.3 m-90 -99.68 105.63 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.163 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -121.53 7.78 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.766 -179.161 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 29.4 mm -110.79 89.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 11.1 t -65.43 79.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.784 ' O ' ' N ' ' A' ' 22' ' ' GLY . 17.8 mtp180 -79.74 -153.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.721 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -36.57 71.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.1 21.92 47.7 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.918 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ARG . 92.1 m -140.51 162.16 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.5 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.9 m -90.66 132.67 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.9 m-80 -119.08 153.62 34.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.422 . . . . 0.0 111.481 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.19 -1.71 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.581 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.329 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.1 0.476 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.96 102.74 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.911 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -37.11 113.38 0.25 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.52 176.25 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -130.32 -70.9 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.381 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -93.5 -85.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.339 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -132.12 -45.25 0.93 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 111.115 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 p -136.57 45.55 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.42 55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -143.43 -88.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.06 -167.84 2.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.2 -13.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.318 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -66.66 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-O 121.215 0.531 . . . . 0.0 110.879 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.506 ' CD1' HG11 ' A' ' 26' ' ' VAL . 3.6 m-90 -94.4 106.56 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.782 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 11.6 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.233 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 41.4 mm -108.63 83.09 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 110.25 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.3 t -61.83 79.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.1 ttt180 -79.83 -155.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.438 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -37.78 72.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.757 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.63 21.16 41.77 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.906 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ARG . 39.0 m -139.04 161.94 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 111.366 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.2 m -93.11 125.68 37.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.64 147.64 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.05 0.52 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.481 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.337 -179.455 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.53 108.0 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.75 116.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.295 . . . . 0.0 111.189 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -102.03 171.83 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.463 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -128.09 -69.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.524 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -84.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.284 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.9 t30 -133.8 -48.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 p -131.8 44.05 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.768 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.64 54.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 m -147.29 -92.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.44 -177.38 6.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.767 0.318 . . . . 0.0 110.705 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.4 -28.47 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 8.6 mt -67.36 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.647 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.586 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -101.11 105.63 16.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.116 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -124.61 8.02 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.7 mm -106.04 83.49 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.4 t -59.38 80.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 ttt180 -80.07 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.16 73.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.05 19.22 44.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.973 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 87.1 m -137.34 166.09 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.4 m -97.71 125.31 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.581 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -113.93 136.02 53.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.89 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 4.4 p -91.19 23.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.352 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.211 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.946 0.403 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -81.16 101.0 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.751 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -35.13 117.41 0.4 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.837 0.351 . . . . 0.0 111.356 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.3 p -103.37 164.48 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -119.81 -73.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.375 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -89.74 -83.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 t30 -134.77 -46.82 0.74 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.5 p -135.46 43.41 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.693 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.01 55.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.51 -84.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -164.18 169.19 18.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.467 HD12 HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -47.08 -33.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.1 0.476 . . . . 0.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG21 ' HB ' ' A' ' 26' ' ' VAL . 91.2 mt -63.1 -69.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.415 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.582 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.9 m-90 -96.55 108.3 20.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 4.65 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 15.0 mm -104.39 84.95 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.6 t -61.57 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 58.0 mtp180 -79.73 -156.56 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -37.85 72.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.73 20.1 45.8 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.936 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ARG . 97.9 m -137.13 163.13 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LEU . 54.4 m -96.79 123.94 40.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.7 m-80 -113.03 135.54 53.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.197 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.4 p -91.41 35.1 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.195 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.131 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.971 0.415 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.99 107.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.907 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.91 117.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.8 p -101.83 176.94 5.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.676 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -131.59 -71.07 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.842 0.353 . . . . 0.0 111.39 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -94.46 -84.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.408 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.48 -44.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.335 . . . . 0.0 111.163 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -134.01 43.21 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.22 55.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.04 -82.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 15' ' ' ILE . 50.5 p30 -162.79 -171.45 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.71 -22.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.536 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.428 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -77.75 -60.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.201 0.524 . . . . 0.0 110.711 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CD1' HG23 ' A' ' 26' ' ' VAL . 3.2 m-90 -99.48 101.29 12.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.356 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.72 12.47 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.302 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.575 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 35.4 mm -110.96 84.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.15 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -61.89 81.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.791 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.748 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -80.01 -156.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -38.31 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.748 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.99 19.42 44.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.894 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -136.34 167.34 21.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 63.0 m -98.79 127.12 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.575 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -117.33 149.35 40.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG23 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -80.28 -8.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.539 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.56 179.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.2 97.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.7 mm-40 -32.92 123.04 0.37 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 111.957 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -108.86 171.82 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -129.76 -65.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.31 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -96.15 -82.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.153 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -139.02 -47.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t -130.06 42.46 3.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.85 55.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.633 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -151.8 -83.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -166.76 171.87 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.978 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -49.82 -34.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.103 0.478 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 26' ' ' VAL . 96.1 mt -60.26 -69.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.8 m-90 -97.58 98.45 9.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.928 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.6 7.1 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.232 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -104.68 83.61 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 22.3 t -60.27 80.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -79.86 -156.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.699 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -38.46 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.94 20.49 49.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.853 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' ARG . 68.0 m -137.89 166.73 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.28 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 64.1 m -98.61 125.04 43.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.43 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.2 m-80 -115.76 135.38 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.278 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.6 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.2 p -91.37 35.76 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.075 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 121.102 0.477 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.53 108.02 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.46 112.83 0.28 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.109 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -101.6 173.12 6.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.61 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -128.75 -71.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -93.5 -84.26 0.3 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.339 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.25 -44.37 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 p -131.82 40.32 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.26 54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.74 -82.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.1 p30 -161.69 -172.48 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.064 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.8 -19.54 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.524 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -79.38 -62.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 110.812 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.3 m-90 -96.83 104.91 16.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.596 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -123.38 12.43 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.377 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.565 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 30.7 mm -111.53 84.21 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.775 0.322 . . . . 0.0 110.302 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -62.58 79.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.85 -155.2 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -37.72 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.765 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.15 20.37 42.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.954 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.0 m -138.07 162.61 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 111.478 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.3 m -93.46 127.42 39.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.51 151.28 38.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 111.305 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.17 -3.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.46 -179.198 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.071 0.462 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -59.89 103.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -42.11 114.91 0.6 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.706 0.288 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.94 162.3 13.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -116.17 -74.34 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.957 0.408 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -89.55 -83.82 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.286 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -131.64 -44.86 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.4 p -141.55 44.29 1.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.77 56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -84.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -146.36 -171.91 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.97 -16.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt -78.03 -65.48 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.786 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.4 m-90 -94.38 101.1 13.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.683 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -116.11 13.93 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 26.7 mm -110.82 83.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.0 t -61.19 81.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.246 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.755 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -80.56 -156.17 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.135 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -36.87 72.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.755 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.37 17.57 39.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.142 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 56.3 m -137.73 167.61 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 35.6 m -94.84 131.71 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.3 m-80 -123.33 148.99 45.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.529 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.254 179.7 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.98 0.419 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.03 101.3 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -33.28 107.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 111.575 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -100.66 -177.49 3.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -138.95 -65.66 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.417 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 t -98.16 -84.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -130.69 -43.56 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -141.01 51.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.41 55.93 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 m -148.19 -78.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -169.03 -171.26 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.16 -47.41 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.2 mt -47.88 -60.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.105 0.479 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.481 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.0 m-90 -98.87 113.53 25.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.412 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -127.56 8.69 6.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.724 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.0 mm -112.74 87.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 9.2 t -64.02 80.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.761 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 ttt180 -79.8 -154.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.762 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -37.62 71.81 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.761 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.65 22.08 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.881 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.8 m -141.71 159.37 42.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 111.404 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.4 m -91.38 128.89 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.218 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.573 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m-80 -115.57 153.35 31.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.09 2.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.53 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.281 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.071 0.462 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -68.89 107.42 3.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.959 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.2 112.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 111.113 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.37 174.44 5.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.671 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -70.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.6 m -94.19 -84.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.349 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.66 -44.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p -132.38 41.14 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.61 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -148.35 -82.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.6 p30 -161.59 -172.37 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.038 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mm -69.85 -19.74 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -79.03 -61.87 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.491 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.2 104.61 16.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.584 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -122.98 12.33 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.435 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.3 mm -111.28 83.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.0 t -62.6 79.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -79.68 -155.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.658 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -37.83 72.48 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.25 20.65 44.47 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.0 m -138.31 162.07 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.463 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -93.58 127.14 39.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -117.66 151.8 36.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 111.309 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.02 -4.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.591 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.412 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.939 0.399 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -87.52 104.9 16.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -36.76 111.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.08 172.78 6.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -127.5 -71.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 111.454 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -92.35 -84.52 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.35 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.25 -45.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -136.87 45.13 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.45 55.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -142.17 -87.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.89 -168.24 2.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.777 0.322 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.52 -11.11 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.335 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -66.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.189 0.518 . . . . 0.0 110.887 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.502 ' CD1' HG11 ' A' ' 26' ' ' VAL . 3.6 m-90 -93.68 105.71 17.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.835 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.24 11.68 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.238 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 40.0 mm -108.77 83.81 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.823 0.344 . . . . 0.0 110.28 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -62.0 79.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 ttt85 -79.9 -154.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -37.44 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.02 20.03 40.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.942 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 75.0 m -138.47 162.72 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 111.495 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.4 m -92.76 125.73 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.43 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -117.29 147.55 42.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.957 0.408 . . . . 0.0 111.213 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.0 0.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.495 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.424 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.998 0.428 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -59.72 102.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.926 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.6 114.24 0.45 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.13 167.21 9.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -119.64 -72.7 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -84.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.24 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.7 t30 -129.53 -44.47 1.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.395 . . . . 0.0 111.163 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -142.67 44.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.19 56.7 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 -83.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.268 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -144.95 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.995 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.32 -15.98 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mt -78.68 -64.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.183 0.516 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.5 m-90 -94.48 101.25 13.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.715 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -116.21 14.2 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.081 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -110.46 82.66 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.141 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.6 t -60.98 80.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.282 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -80.01 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -37.52 72.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.41 18.35 43.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.043 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.3 m -137.92 166.73 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.9 m -95.42 130.99 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.4 m-80 -122.79 149.03 44.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.499 HG22 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.605 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.227 179.683 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.059 0.457 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -67.04 108.01 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -41.76 118.56 1.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.22 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -104.11 151.15 23.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.59 -73.01 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.935 0.398 . . . . 0.0 111.406 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 -83.87 0.24 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.223 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.1 t30 -138.2 -45.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.4 p -132.01 38.53 3.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.754 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.64 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -144.62 -81.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.8 p-10 -163.8 -178.63 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.52 -26.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 26' ' ' VAL . 2.4 mt -74.41 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.415 0.626 . . . . 0.0 110.437 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.641 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.2 m-90 -94.38 102.32 14.29 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.135 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -125.16 6.07 7.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.103 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.3 mm -103.69 83.95 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 33.3 t -59.66 80.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.752 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.86 -156.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -38.23 73.25 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.752 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.18 19.57 39.53 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.856 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.4 m -135.96 166.53 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.443 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.4 m -98.25 123.03 42.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.578 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -114.34 134.53 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.3 p -91.34 36.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.154 -179.807 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 121.02 0.438 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.02 106.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.825 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -41.23 116.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.259 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -103.3 167.01 10.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -123.57 -67.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.481 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -93.77 -84.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -134.84 -47.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.952 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.8 p -133.29 43.8 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -77.07 55.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -145.18 -91.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 -169.93 3.27 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.27 -25.17 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 16.8 mt -69.2 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.538 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.59 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -100.62 104.39 15.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.956 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 5.84 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 18.1 mm -104.23 85.08 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.4 t -60.28 80.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -79.88 -155.85 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.52 179.069 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -37.72 72.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.59 19.47 42.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.918 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.9 m -137.97 165.86 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.304 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 62.2 m -96.49 124.57 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.466 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.581 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -112.94 135.53 53.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.984 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 6.7 p -91.33 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.092 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.929 0.395 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.71 107.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -41.57 116.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.308 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.26 170.44 8.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.494 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -126.57 -69.59 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.481 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 t -93.5 -84.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.0 t30 -134.35 -49.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 110.987 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -131.53 43.49 3.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.43 54.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -146.61 -92.94 0.09 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.91 -176.42 5.95 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.743 0.306 . . . . 0.0 110.78 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.88 -26.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.762 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.3 mt -69.23 -68.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.587 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -99.99 104.78 16.41 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.005 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -123.92 6.49 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.585 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 17.9 mm -105.01 84.14 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.2 t -59.8 80.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.201 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -80.05 -156.24 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.547 179.104 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -37.98 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.749 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.75 19.49 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.88 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.7 m -137.44 165.72 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.26 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.7 m -97.11 124.81 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.445 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -113.58 135.54 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.018 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 6.6 p -91.43 35.5 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.078 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.022 0.439 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -60.2 102.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.46 114.44 0.51 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.58 164.99 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -117.52 -73.36 0.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.258 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -91.76 -83.36 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -130.43 -44.7 1.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -143.24 44.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.41 56.67 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.041 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.88 -85.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -144.25 -177.7 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 111.087 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.55 -16.88 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.304 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 HG22 ' CE2' ' A' ' 16' ' ' TRP . 5.5 mt -73.2 -65.71 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-O 121.392 0.615 . . . . 0.0 111.009 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD1' HG23 ' A' ' 26' ' ' VAL . 3.8 m-90 -97.88 105.3 17.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.52 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -115.46 12.81 16.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 33.6 mm -110.6 86.68 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.401 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 20.8 t -63.75 79.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.02 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.88 -155.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -36.63 71.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.15 18.06 40.19 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.027 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 34.2 m -138.43 166.56 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.844 0.322 . . . . 0.0 111.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.7 m -93.88 130.92 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.2 m-80 -121.45 148.29 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.508 HG23 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.08 0.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.565 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.452 -179.265 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.09 102.0 14.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.776 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -34.2 110.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.347 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.16 177.97 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -132.92 -67.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -96.81 -85.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.406 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -132.69 -44.32 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.834 0.35 . . . . 0.0 111.189 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.4 p -137.3 47.06 2.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.75 55.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -147.33 -86.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.0 p-10 -161.23 171.32 18.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.045 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -49.51 -26.75 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.83 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.7 mt -71.62 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.2 m-90 -96.68 106.93 19.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.672 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 12.03 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.345 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.9 mp -111.62 84.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.847 0.355 . . . . 0.0 110.302 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.0 t -62.41 79.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.882 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.94 -154.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.336 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -37.3 72.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.67 20.96 41.3 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.938 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.6 m -138.83 161.12 38.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -91.83 127.05 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.361 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.549 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.43 153.09 32.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.19 -0.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.554 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.92 179.751 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.001 0.429 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -67.0 102.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -37.23 116.0 0.43 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.207 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.2 p -101.99 177.0 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -131.05 -70.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.39 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -94.61 -84.2 0.33 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.281 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -133.03 -50.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.5 p -129.45 43.35 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.662 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.47 54.56 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -147.24 -93.42 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -158.26 178.82 9.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -52.68 -29.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.5 mt -66.96 -69.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.479 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -98.65 109.33 22.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.167 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -126.07 5.52 7.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.7 mp -106.32 85.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -61.9 79.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.046 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tpt180 -80.03 -154.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -37.24 72.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.57 20.51 38.8 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.885 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -137.84 162.26 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.436 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 16' ' ' TRP . 36.2 m -94.28 126.21 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.55 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -113.52 135.03 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.6 p -91.47 34.5 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.084 0.469 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.085 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.22 77.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.97 85.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -90.0 105.47 17.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.69 110.11 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.48 176.84 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm-85 -131.56 -70.96 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.417 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -94.14 -84.68 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.389 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.33 -43.86 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.0 111.206 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -137.01 45.57 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.81 55.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.14 -81.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.411 ' ND2' HG13 ' A' ' 15' ' ' ILE . 53.0 p30 -161.3 -173.31 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.028 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.43 -19.69 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.497 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -78.66 -62.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.177 0.513 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.501 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.11 105.43 17.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.627 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -123.21 12.2 9.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.418 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 32.2 mm -111.47 84.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.77 79.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.796 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 ttt-85 -79.81 -155.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -37.51 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.0 20.48 41.9 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ARG . 90.9 m -138.12 162.22 34.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 111.489 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.5 m -92.94 127.31 38.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.24 151.43 37.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 111.347 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.17 -3.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.526 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.411 -179.333 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tp -141.12 84.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 86.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.56 102.54 14.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.65 110.71 0.11 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.352 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -100.57 -179.58 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -134.56 -70.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.886 0.374 . . . . 0.0 111.441 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -95.25 -85.09 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -131.65 -45.56 0.97 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 0.0 111.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.5 p -136.16 46.97 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -78.6 55.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.25 -87.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.68 -167.05 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.23 -16.37 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -65.72 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.228 0.537 . . . . 0.0 110.797 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' HG11 ' A' ' 26' ' ' VAL . 3.5 m-90 -95.89 106.26 18.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.78 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -123.44 12.29 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.272 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 5.1 mp -110.43 83.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 120.9 0.381 . . . . 0.0 110.223 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.84 79.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -80.12 -154.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -37.28 72.31 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.64 20.71 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.871 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.1 m -138.63 161.42 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.5 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.8 m -92.1 126.65 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.494 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.555 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -116.38 150.83 37.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.16 -4.21 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.274 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 6.8 tp . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.291 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.9 52.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.41 66.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -69.18 90.86 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.9 mm-40 -30.07 121.3 0.18 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 111.813 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.39 177.93 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.975 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -134.76 -44.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 m -119.17 -86.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.446 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -136.41 -44.28 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.874 0.368 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -132.93 41.72 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.689 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.74 55.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -151.94 -88.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.25 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -160.83 176.44 11.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.922 0.392 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.8 pp -56.29 -21.18 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 14' ' ' ILE . 1.9 mt -75.63 -61.1 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.588 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.3 m-90 -99.68 105.63 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.163 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -121.53 7.78 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.766 -179.161 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 29.4 mm -110.79 89.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 11.1 t -65.43 79.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.784 ' O ' ' N ' ' A' ' 22' ' ' GLY . 17.8 mtp180 -79.74 -153.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.721 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -36.57 71.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.1 21.92 47.7 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.918 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ARG . 92.1 m -140.51 162.16 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.5 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.9 m -90.66 132.67 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.9 m-80 -119.08 153.62 34.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.422 . . . . 0.0 111.481 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.19 -1.71 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.581 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.329 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.0 105.69 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 65.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.1 0.476 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.96 102.74 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.911 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -37.11 113.38 0.25 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.52 176.25 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -130.32 -70.9 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.381 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -93.5 -85.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.339 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -132.12 -45.25 0.93 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 111.115 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 p -136.57 45.55 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.42 55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -143.43 -88.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.06 -167.84 2.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.2 -13.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.318 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.68 -66.66 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-O 121.215 0.531 . . . . 0.0 110.879 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.506 ' CD1' HG11 ' A' ' 26' ' ' VAL . 3.6 m-90 -94.4 106.56 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.782 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 11.6 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.233 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 41.4 mm -108.63 83.09 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 110.25 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.3 t -61.83 79.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.1 ttt180 -79.83 -155.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.438 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -37.78 72.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.757 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.63 21.16 41.77 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.906 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ARG . 39.0 m -139.04 161.94 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 111.366 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.2 m -93.11 125.68 37.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.64 147.64 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.05 0.52 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.481 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.337 -179.455 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.883 0.373 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 tp -137.19 102.44 4.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.8 66.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.53 108.0 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.75 116.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.295 . . . . 0.0 111.189 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -102.03 171.83 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.463 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -128.09 -69.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.524 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -84.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.284 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.9 t30 -133.8 -48.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 p -131.8 44.05 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.768 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.64 54.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 m -147.29 -92.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.44 -177.38 6.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.767 0.318 . . . . 0.0 110.705 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 mp -58.4 -28.47 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 8.6 mt -67.36 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.647 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.586 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -101.11 105.63 16.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.116 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -124.61 8.02 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.7 mm -106.04 83.49 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.4 t -59.38 80.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 ttt180 -80.07 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.16 73.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.05 19.22 44.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.973 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 87.1 m -137.34 166.09 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.4 m -97.71 125.31 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.581 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -113.93 136.02 53.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.89 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 4.4 p -91.19 23.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.352 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.211 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -131.91 90.54 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 82.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -81.16 101.0 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.751 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -35.13 117.41 0.4 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.837 0.351 . . . . 0.0 111.356 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.3 p -103.37 164.48 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -119.81 -73.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.375 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -89.74 -83.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 t30 -134.77 -46.82 0.74 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.5 p -135.46 43.41 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.693 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.01 55.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.51 -84.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -164.18 169.19 18.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.467 HD12 HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -47.08 -33.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.1 0.476 . . . . 0.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG21 ' HB ' ' A' ' 26' ' ' VAL . 91.2 mt -63.1 -69.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.415 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.582 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.9 m-90 -96.55 108.3 20.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 4.65 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 15.0 mm -104.39 84.95 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.6 t -61.57 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 58.0 mtp180 -79.73 -156.56 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -37.85 72.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.73 20.1 45.8 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.936 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ARG . 97.9 m -137.13 163.13 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LEU . 54.4 m -96.79 123.94 40.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.7 m-80 -113.03 135.54 53.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.197 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.4 p -91.41 35.1 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.195 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.131 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.781 0.324 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 50.1 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.83 66.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.99 107.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.907 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.91 117.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.8 p -101.83 176.94 5.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.676 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -131.59 -71.07 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.842 0.353 . . . . 0.0 111.39 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -94.46 -84.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.408 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.48 -44.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.335 . . . . 0.0 111.163 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -134.01 43.21 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.22 55.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.04 -82.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' ND2' HG13 ' A' ' 15' ' ' ILE . 50.5 p30 -162.79 -171.45 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.71 -22.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.536 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.428 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -77.75 -60.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.201 0.524 . . . . 0.0 110.711 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CD1' HG23 ' A' ' 26' ' ' VAL . 3.2 m-90 -99.48 101.29 12.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.356 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.72 12.47 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.302 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.575 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 35.4 mm -110.96 84.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.15 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.5 t -61.89 81.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.791 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.748 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -80.01 -156.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -38.31 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.748 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.99 19.42 44.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.894 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -136.34 167.34 21.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 63.0 m -98.79 127.12 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.575 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -117.33 149.35 40.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG23 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -80.28 -8.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.539 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.56 179.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mp -131.32 103.01 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.87 66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.779 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.2 97.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.7 mm-40 -32.92 123.04 0.37 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 111.957 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -108.86 171.82 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -129.76 -65.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.31 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -96.15 -82.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.153 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -139.02 -47.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t -130.06 42.46 3.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.85 55.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.633 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -151.8 -83.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -166.76 171.87 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.978 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -49.82 -34.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.103 0.478 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 26' ' ' VAL . 96.1 mt -60.26 -69.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.8 m-90 -97.58 98.45 9.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.928 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.6 7.1 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.232 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -104.68 83.61 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 22.3 t -60.27 80.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -79.86 -156.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.699 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -38.46 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.94 20.49 49.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.853 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' ARG . 68.0 m -137.89 166.73 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.28 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 64.1 m -98.61 125.04 43.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.43 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.2 m-80 -115.76 135.38 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.278 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.6 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.2 p -91.37 35.76 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.075 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.25 49.95 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.74 66.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.53 108.02 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.46 112.83 0.28 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.109 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -101.6 173.12 6.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.61 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -128.75 -71.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -93.5 -84.26 0.3 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.339 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.25 -44.37 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 p -131.82 40.32 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.26 54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.74 -82.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.1 p30 -161.69 -172.48 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.064 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.8 -19.54 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.524 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -79.38 -62.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 110.812 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.3 m-90 -96.83 104.91 16.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.596 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -123.38 12.43 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.377 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.565 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 30.7 mm -111.53 84.21 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.775 0.322 . . . . 0.0 110.302 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -62.58 79.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.85 -155.2 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -37.72 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.765 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.15 20.37 42.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.954 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.0 m -138.07 162.61 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 111.478 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.3 m -93.46 127.42 39.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.51 151.28 38.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 111.305 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.17 -3.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.46 -179.198 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.65 79.84 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 66.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.462 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -59.89 103.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -42.11 114.91 0.6 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.706 0.288 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.94 162.3 13.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -116.17 -74.34 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.957 0.408 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -89.55 -83.82 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.286 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -131.64 -44.86 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.4 p -141.55 44.29 1.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.77 56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -84.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -146.36 -171.91 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.97 -16.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt -78.03 -65.48 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.786 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.4 m-90 -94.38 101.1 13.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.683 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -116.11 13.93 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 26.7 mm -110.82 83.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.0 t -61.19 81.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.246 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.755 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -80.56 -156.17 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.135 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -36.87 72.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.755 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.37 17.57 39.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.142 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 56.3 m -137.73 167.61 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 35.6 m -94.84 131.71 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.3 m-80 -123.33 148.99 45.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.529 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.254 179.7 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.83 0.348 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.07 79.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.65 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.814 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.03 101.3 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -33.28 107.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 111.575 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -100.66 -177.49 3.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -138.95 -65.66 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.417 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 t -98.16 -84.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -130.69 -43.56 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -141.01 51.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.41 55.93 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 m -148.19 -78.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.445 ' ND2' HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -169.03 -171.26 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.16 -47.41 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.2 mt -47.88 -60.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.105 0.479 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.481 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.0 m-90 -98.87 113.53 25.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.412 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -127.56 8.69 6.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.724 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.0 mm -112.74 87.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 9.2 t -64.02 80.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.761 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 ttt180 -79.8 -154.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.762 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -37.62 71.81 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.761 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.65 22.08 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.881 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.8 m -141.71 159.37 42.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 111.404 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.4 m -91.38 128.89 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.218 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.573 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m-80 -115.57 153.35 31.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.09 2.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.53 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.281 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.841 0.353 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.6 50.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 110.788 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -68.89 107.42 3.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.959 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.2 112.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 111.113 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.37 174.44 5.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.671 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -70.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.6 m -94.19 -84.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.349 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.66 -44.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p -132.38 41.14 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.61 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -148.35 -82.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.6 p30 -161.59 -172.37 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.038 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mm -69.85 -19.74 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.6 mt -79.03 -61.87 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.491 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.2 104.61 16.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.584 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -122.98 12.33 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.435 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.3 mm -111.28 83.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.0 t -62.6 79.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -79.68 -155.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.658 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -37.83 72.48 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.25 20.65 44.47 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.0 m -138.31 162.07 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.463 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -93.58 127.14 39.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -117.66 151.8 36.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 111.309 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.02 -4.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.591 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.412 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.357 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -106.93 75.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.06 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -87.52 104.9 16.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -36.76 111.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.08 172.78 6.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -127.5 -71.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 111.454 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -92.35 -84.52 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.35 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.25 -45.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -136.87 45.13 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.45 55.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -142.17 -87.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.89 -168.24 2.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.777 0.322 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.52 -11.11 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.335 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -66.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.189 0.518 . . . . 0.0 110.887 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.502 ' CD1' HG11 ' A' ' 26' ' ' VAL . 3.6 m-90 -93.68 105.71 17.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.835 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.24 11.68 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.238 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 40.0 mm -108.77 83.81 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.823 0.344 . . . . 0.0 110.28 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.3 t -62.0 79.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 ttt85 -79.9 -154.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -37.44 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.02 20.03 40.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.942 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 75.0 m -138.47 162.72 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 111.495 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.4 m -92.76 125.73 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.43 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -117.29 147.55 42.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.957 0.408 . . . . 0.0 111.213 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.0 0.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.495 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.424 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -159.96 97.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 64.23 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -59.72 102.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.926 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.6 114.24 0.45 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.13 167.21 9.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -119.64 -72.7 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -84.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.24 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.7 t30 -129.53 -44.47 1.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.395 . . . . 0.0 111.163 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -142.67 44.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.19 56.7 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 -83.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.268 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -144.95 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.995 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.32 -15.98 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mt -78.68 -64.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.183 0.516 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.5 m-90 -94.48 101.25 13.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.715 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -116.21 14.2 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.081 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -110.46 82.66 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.141 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.6 t -60.98 80.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.282 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -80.01 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -37.52 72.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.41 18.35 43.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.043 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.3 m -137.92 166.73 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.9 m -95.42 130.99 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.4 m-80 -122.79 149.03 44.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG22 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.605 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.227 179.683 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.879 0.371 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.42 93.09 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 69.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -67.04 108.01 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -41.76 118.56 1.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.22 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -104.11 151.15 23.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.59 -73.01 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.935 0.398 . . . . 0.0 111.406 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 -83.87 0.24 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.223 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.1 t30 -138.2 -45.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.4 p -132.01 38.53 3.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.754 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.64 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -144.62 -81.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.8 p-10 -163.8 -178.63 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.52 -26.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 26' ' ' VAL . 2.4 mt -74.41 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.415 0.626 . . . . 0.0 110.437 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.641 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.2 m-90 -94.38 102.32 14.29 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.135 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -125.16 6.07 7.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.103 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.3 mm -103.69 83.95 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 33.3 t -59.66 80.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.752 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.86 -156.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -38.23 73.25 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.752 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.18 19.57 39.53 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.856 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.4 m -135.96 166.53 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.443 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.4 m -98.25 123.03 42.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.578 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -114.34 134.53 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.3 p -91.34 36.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.154 -179.807 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 tp -107.01 106.9 17.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.97 66.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.02 106.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.825 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -41.23 116.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.259 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -103.3 167.01 10.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -123.57 -67.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.481 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -93.77 -84.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -134.84 -47.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.952 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.8 p -133.29 43.8 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -77.07 55.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -145.18 -91.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 -169.93 3.27 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.27 -25.17 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 16.8 mt -69.2 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.538 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.59 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -100.62 104.39 15.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.956 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 5.84 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 18.1 mm -104.23 85.08 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.4 t -60.28 80.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -79.88 -155.85 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.52 179.069 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -37.72 72.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.59 19.47 42.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.918 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.9 m -137.97 165.86 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.304 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 62.2 m -96.49 124.57 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.466 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.581 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -112.94 135.53 53.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.984 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 6.7 p -91.33 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.092 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.821 0.344 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.86 84.02 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.81 66.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.71 107.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -41.57 116.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.308 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.26 170.44 8.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.494 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -126.57 -69.59 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.481 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 t -93.5 -84.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.0 t30 -134.35 -49.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 110.987 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -131.53 43.49 3.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.43 54.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -146.61 -92.94 0.09 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.91 -176.42 5.95 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.743 0.306 . . . . 0.0 110.78 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.88 -26.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.762 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.3 mt -69.23 -68.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.587 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -99.99 104.78 16.41 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.005 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -123.92 6.49 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.585 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 17.9 mm -105.01 84.14 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.2 t -59.8 80.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.201 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -80.05 -156.24 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.547 179.104 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -37.98 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.749 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.75 19.49 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.88 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.7 m -137.44 165.72 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.26 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.7 m -97.11 124.81 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.445 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -113.58 135.54 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.018 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 6.6 p -91.43 35.5 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.078 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 tp -131.81 96.87 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.77 66.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.022 0.439 . . . . 0.0 110.767 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -60.2 102.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.46 114.44 0.51 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.58 164.99 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -117.52 -73.36 0.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.258 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -91.76 -83.36 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -130.43 -44.7 1.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -143.24 44.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.41 56.67 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.041 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.88 -85.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -144.25 -177.7 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 111.087 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.55 -16.88 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.304 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG22 ' CE2' ' A' ' 16' ' ' TRP . 5.5 mt -73.2 -65.71 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-O 121.392 0.615 . . . . 0.0 111.009 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD1' HG23 ' A' ' 26' ' ' VAL . 3.8 m-90 -97.88 105.3 17.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.52 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -115.46 12.81 16.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 33.6 mm -110.6 86.68 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.401 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 20.8 t -63.75 79.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.02 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.88 -155.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -36.63 71.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.15 18.06 40.19 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.027 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 34.2 m -138.43 166.56 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.844 0.322 . . . . 0.0 111.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.7 m -93.88 130.92 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.2 m-80 -121.45 148.29 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 HG23 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.08 0.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.565 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.452 -179.265 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.12 85.71 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.87 86.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.09 102.0 14.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.776 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -34.2 110.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.347 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.16 177.97 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -132.92 -67.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -96.81 -85.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.406 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -132.69 -44.32 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.834 0.35 . . . . 0.0 111.189 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.4 p -137.3 47.06 2.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.75 55.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -147.33 -86.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.0 p-10 -161.23 171.32 18.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.045 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pp -49.51 -26.75 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.83 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG13 ' ND2' ' A' ' 13' ' ' ASN . 1.7 mt -71.62 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.2 m-90 -96.68 106.93 19.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.672 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 12.03 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.345 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.549 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.9 mp -111.62 84.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.847 0.355 . . . . 0.0 110.302 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.0 t -62.41 79.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.882 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.94 -154.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.336 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -37.3 72.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.67 20.96 41.3 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.938 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.6 m -138.83 161.12 38.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -91.83 127.05 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.361 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.549 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.43 153.09 32.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -90.19 -0.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.554 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.92 179.751 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 tp -141.24 102.32 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 66.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.001 0.429 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -67.0 102.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -37.23 116.0 0.43 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.207 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.2 p -101.99 177.0 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -131.05 -70.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.39 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -94.61 -84.2 0.33 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.281 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -133.03 -50.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.5 p -129.45 43.35 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.662 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.47 54.56 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -147.24 -93.42 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -158.26 178.82 9.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -52.68 -29.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.5 mt -66.96 -69.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.479 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -98.65 109.33 22.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.167 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -126.07 5.52 7.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.7 mp -106.32 85.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -61.9 79.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.046 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tpt180 -80.03 -154.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -37.24 72.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.57 20.51 38.8 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.885 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -137.84 162.26 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.436 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 16' ' ' TRP . 36.2 m -94.28 126.21 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.55 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -113.52 135.03 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 16' ' ' TRP . 7.6 p -91.47 34.5 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.084 0.469 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.085 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -90.0 105.47 17.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.69 110.11 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.48 176.84 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm-85 -131.56 -70.96 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.417 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -94.14 -84.68 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.389 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.0 t-20 -133.33 -43.86 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.0 111.206 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -137.01 45.57 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.81 55.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.14 -81.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -161.3 -173.31 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.028 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -68.43 -19.69 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.497 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.849 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -78.66 -62.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.177 0.513 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.11 105.43 17.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.627 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -123.21 12.2 9.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.418 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 32.2 mm -111.47 84.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.9 t -62.77 79.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.796 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 ttt-85 -79.81 -155.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -37.51 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.0 20.48 41.9 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ARG . 90.9 m -138.12 162.22 34.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 111.489 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.5 m -92.94 127.31 38.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.584 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.3 m120 -118.24 151.43 37.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 111.347 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.849 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.526 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 4.7 tt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.411 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.56 102.54 14.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.65 110.71 0.11 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.352 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -100.57 -179.58 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -134.56 -70.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.886 0.374 . . . . 0.0 111.441 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -95.25 -85.09 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 20.4 t-20 -131.65 -45.56 0.97 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 0.0 111.112 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.5 p -136.16 46.97 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -78.6 55.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.25 -87.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.68 -167.05 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 2.9 mp -73.23 -16.37 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.749 HG22 ' CG1' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -80.94 -65.72 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.228 0.537 . . . . 0.0 110.797 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.795 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -95.89 106.26 18.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.78 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -123.44 12.29 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.272 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 5.1 mp -110.43 83.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 120.9 0.381 . . . . 0.0 110.223 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.2 t -61.84 79.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -80.12 -154.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -37.28 72.31 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.64 20.71 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.871 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.1 m -138.63 161.42 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.5 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.8 m -92.1 126.65 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.494 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.2 m120 -116.38 150.83 37.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.16 -4.21 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.274 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.8 tp . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.291 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.943 0.401 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -69.18 90.86 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.4 mm100 -30.07 121.3 0.18 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 111.813 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.39 177.93 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.975 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -134.76 -44.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 m -119.17 -86.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.446 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 18.9 t-20 -136.41 -44.28 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.874 0.368 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -132.93 41.72 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.689 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.74 55.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -151.94 -88.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.25 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.49 HD21 HD12 ' A' ' 15' ' ' ILE . 51.7 p30 -160.83 176.44 11.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.922 0.392 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.8 pp -56.29 -21.18 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.9 mt -75.63 -61.1 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.588 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' A' ' 4' ' ' LEU . 3.3 m-90 -99.68 105.63 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.163 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' HB3' ' A' ' 10' ' ' SER . 0.0 OUTLIER -121.53 7.78 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.766 -179.161 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 29.4 mm -110.79 89.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 11.1 t -65.43 79.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.784 ' O ' ' N ' ' A' ' 22' ' ' GLY . 17.8 mtp180 -79.74 -153.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.721 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -36.57 71.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.1 21.92 47.7 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.918 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ARG . 92.1 m -140.51 162.16 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.5 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 16' ' ' TRP . 65.9 m -90.66 132.67 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.642 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 2.8 m120 -119.08 153.62 34.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.422 . . . . 0.0 111.481 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.885 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -1.71 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.581 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.329 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.1 0.476 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.96 102.74 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.911 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -37.11 113.38 0.25 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.52 176.25 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -130.32 -70.9 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.381 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -93.5 -85.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.339 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.1 t-20 -132.12 -45.25 0.93 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 111.115 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 p -136.57 45.55 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.42 55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -143.43 -88.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.06 -167.84 2.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.2 -13.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.318 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.772 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -84.68 -66.66 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-O 121.215 0.531 . . . . 0.0 110.879 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.932 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -94.4 106.56 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.782 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 11.6 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.233 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 41.4 mm -108.63 83.09 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 110.25 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.3 t -61.83 79.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.1 ttt180 -79.83 -155.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.438 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -37.78 72.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.757 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.63 21.16 41.77 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.906 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ARG . 39.0 m -139.04 161.94 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 111.366 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.2 m -93.11 125.68 37.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.1 m120 -116.64 147.64 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.932 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.05 0.52 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.481 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.544 HG23 ' OXT' ' A' ' 27' ' ' ILE . 3.0 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.53 108.0 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.75 116.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.295 . . . . 0.0 111.189 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -102.03 171.83 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.463 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -128.09 -69.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.524 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -84.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.284 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.455 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.4 t-20 -133.8 -48.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 p -131.8 44.05 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.768 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.64 54.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.4 m -147.29 -92.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -156.44 -177.38 6.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.767 0.318 . . . . 0.0 110.705 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.4 mp -58.4 -28.47 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 mt -67.36 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.647 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.599 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -101.11 105.63 16.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.116 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -124.61 8.02 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.7 mm -106.04 83.49 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.4 t -59.38 80.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 ttt180 -80.07 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.16 73.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.05 19.22 44.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.973 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 87.1 m -137.34 166.09 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.4 m -97.71 125.31 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.3 m120 -113.93 136.02 53.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.89 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.4 p -91.19 23.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.352 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.211 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.946 0.403 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -81.16 101.0 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.751 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -35.13 117.41 0.4 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.837 0.351 . . . . 0.0 111.356 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.3 p -103.37 164.48 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -119.81 -73.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.375 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -89.74 -83.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.9 t-20 -134.77 -46.82 0.74 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.5 p -135.46 43.41 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.693 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.01 55.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.51 -84.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.635 ' ND2' HD12 ' A' ' 15' ' ' ILE . 50.0 p-10 -164.18 169.19 18.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.538 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -47.08 -33.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.1 0.476 . . . . 0.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.2 mt -63.1 -69.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.415 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.596 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.9 m-90 -96.55 108.3 20.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 4.65 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 15.0 mm -104.39 84.95 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.6 t -61.57 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 58.0 mtp180 -79.73 -156.56 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -37.85 72.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.73 20.1 45.8 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.936 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ARG . 97.9 m -137.13 163.13 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LEU . 54.4 m -96.79 123.94 40.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.5 m120 -113.03 135.54 53.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.197 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.4 p -91.41 35.1 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.195 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.131 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.971 0.415 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.99 107.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.907 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.91 117.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.8 p -101.83 176.94 5.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.676 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -131.59 -71.07 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.842 0.353 . . . . 0.0 111.39 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -94.46 -84.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.408 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.434 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.3 t-20 -134.48 -44.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.335 . . . . 0.0 111.163 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -134.01 43.21 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.22 55.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.04 -82.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 15' ' ' ILE . 50.5 p30 -162.79 -171.45 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -69.71 -22.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.536 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.909 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -77.75 -60.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.201 0.524 . . . . 0.0 110.711 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.2 m-90 -99.48 101.29 12.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.356 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.72 12.47 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.302 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 35.4 mm -110.96 84.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.15 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.5 t -61.89 81.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.791 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.748 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -80.01 -156.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -38.31 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.748 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.99 19.42 44.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.894 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -136.34 167.34 21.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 63.0 m -98.79 127.12 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.6 m120 -117.33 149.35 40.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.909 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -80.28 -8.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.539 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.56 179.783 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.2 97.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.3 mm100 -32.92 123.04 0.37 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 111.957 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -108.86 171.82 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -129.76 -65.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.31 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -96.15 -82.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.153 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.3 t-20 -139.02 -47.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.3 t -130.06 42.46 3.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.85 55.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.633 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -151.8 -83.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.637 HD21 HD12 ' A' ' 15' ' ' ILE . 51.0 p-10 -166.76 171.87 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -49.82 -34.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.103 0.478 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 26' ' ' VAL . 96.1 mt -60.26 -69.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.616 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.8 m-90 -97.58 98.45 9.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.928 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' SER . 1.0 OUTLIER -119.6 7.1 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.232 179.719 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -104.68 83.61 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.3 t -60.27 80.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -79.86 -156.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.699 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -38.46 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.94 20.49 49.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.853 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' ARG . 68.0 m -137.89 166.73 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.28 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 64.1 m -98.61 125.04 43.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.43 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.605 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.9 m120 -115.76 135.38 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.278 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.2 p -91.37 35.76 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.075 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 121.102 0.477 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.53 108.02 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.46 112.83 0.28 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.109 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -101.6 173.12 6.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.61 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -128.75 -71.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -93.5 -84.26 0.3 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.339 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 18.3 t-20 -137.25 -44.37 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 p -131.82 40.32 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.26 54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.74 -82.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.1 p30 -161.69 -172.48 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.064 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.8 -19.54 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.524 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.846 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.38 -62.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 110.812 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.645 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -96.83 104.91 16.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.596 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -123.38 12.43 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.377 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 30.7 mm -111.53 84.21 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.775 0.322 . . . . 0.0 110.302 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.9 t -62.58 79.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.85 -155.2 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -37.72 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.765 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.15 20.37 42.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.954 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.0 m -138.07 162.61 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 111.478 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.3 m -93.46 127.42 39.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.2 m120 -118.51 151.28 38.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 111.305 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.846 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 27' ' ' ILE . 2.8 tt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.46 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.071 0.462 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -59.89 103.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -42.11 114.91 0.6 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.706 0.288 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.94 162.3 13.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -116.17 -74.34 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.957 0.408 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -89.55 -83.82 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.286 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.9 t-20 -131.64 -44.86 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.4 p -141.55 44.29 1.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.77 56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -84.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -146.36 -171.91 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.486 HD13 ' H ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -78.97 -16.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.694 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -78.03 -65.48 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.786 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.941 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.4 m-90 -94.38 101.1 13.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.683 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -116.11 13.93 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.598 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 26.7 mm -110.82 83.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.0 t -61.19 81.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.246 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.755 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -80.56 -156.17 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.135 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -36.87 72.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.755 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.37 17.57 39.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.142 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 56.3 m -137.73 167.61 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 35.6 m -94.84 131.71 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.598 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m120 -123.33 148.99 45.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.941 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.529 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.616 HD11 ' NH2' ' A' ' 20' ' ' ARG . 3.3 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.254 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.98 0.419 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.03 101.3 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -33.28 107.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 111.575 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -100.66 -177.49 3.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -138.95 -65.66 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.417 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 t -98.16 -84.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.0 t-20 -130.69 -43.56 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -141.01 51.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.41 55.93 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 m -148.19 -78.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.556 HD22 ' HZ3' ' A' ' 16' ' ' TRP . 8.0 p30 -169.03 -171.26 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 15' ' ' ILE . 4.0 tp -64.16 -47.41 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.891 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -47.88 -60.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.105 0.479 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.606 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.0 m-90 -98.87 113.53 25.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.412 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -127.56 8.69 6.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.724 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.0 mm -112.74 87.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 9.2 t -64.02 80.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.761 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 ttt180 -79.8 -154.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.762 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -37.62 71.81 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.761 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.65 22.08 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.881 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.8 m -141.71 159.37 42.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 111.404 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 16' ' ' TRP . 75.4 m -91.38 128.89 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.218 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.7 m120 -115.57 153.35 31.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.891 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.09 2.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.53 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.281 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.071 0.462 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -68.89 107.42 3.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.959 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.2 112.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 111.113 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.37 174.44 5.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.671 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -70.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.6 m -94.19 -84.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.349 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 18.7 t-20 -136.66 -44.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p -132.38 41.14 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.61 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -148.35 -82.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -161.59 -172.37 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mm -69.85 -19.74 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.855 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.03 -61.87 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.491 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.625 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.2 104.61 16.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.584 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -122.98 12.33 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.435 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.3 mm -111.28 83.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.0 t -62.6 79.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -79.68 -155.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.658 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -37.83 72.48 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.25 20.65 44.47 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.0 m -138.31 162.07 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.463 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -93.58 127.14 39.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.2 m120 -117.66 151.8 36.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 111.309 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.855 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.02 -4.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.591 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.532 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.412 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.939 0.399 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -87.52 104.9 16.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -36.76 111.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.08 172.78 6.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -127.5 -71.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 111.454 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -92.35 -84.52 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.35 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.9 t-20 -133.25 -45.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -136.87 45.13 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.45 55.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -142.17 -87.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.89 -168.24 2.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.777 0.322 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.52 -11.11 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.335 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.779 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.53 -66.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.189 0.518 . . . . 0.0 110.887 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.936 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -93.68 105.71 17.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.835 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.24 11.68 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.238 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 40.0 mm -108.77 83.81 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.823 0.344 . . . . 0.0 110.28 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 28.3 t -62.0 79.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 ttt85 -79.9 -154.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -37.44 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.02 20.03 40.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.942 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 75.0 m -138.47 162.72 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 111.495 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.4 m -92.76 125.73 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.43 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.1 m120 -117.29 147.55 42.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.957 0.408 . . . . 0.0 111.213 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.936 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.0 0.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.495 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.424 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.998 0.428 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.682 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -59.72 102.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.926 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.6 114.24 0.45 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.13 167.21 9.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -119.64 -72.7 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -84.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.24 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.9 t-20 -129.53 -44.47 1.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.395 . . . . 0.0 111.163 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -142.67 44.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.19 56.7 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 -83.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.268 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -144.95 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.995 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -84.32 -15.98 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.695 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.3 mt -78.68 -64.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.183 0.516 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.93 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -94.48 101.25 13.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.715 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -116.21 14.2 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.081 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -110.46 82.66 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.141 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.6 t -60.98 80.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.282 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -80.01 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -37.52 72.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.41 18.35 43.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.043 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.3 m -137.92 166.73 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.9 m -95.42 130.99 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m120 -122.79 149.03 44.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.93 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.605 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' OXT' HG22 ' A' ' 27' ' ' ILE . 2.7 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.227 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.059 0.457 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -67.04 108.01 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -41.76 118.56 1.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.22 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -104.11 151.15 23.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.59 -73.01 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.935 0.398 . . . . 0.0 111.406 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 -83.87 0.24 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.223 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.1 t-20 -138.2 -45.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.4 p -132.01 38.53 3.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.754 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.64 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -144.62 -81.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.444 HD21 HD12 ' A' ' 15' ' ' ILE . 52.8 p-10 -163.8 -178.63 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.52 -26.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 mt -74.41 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.415 0.626 . . . . 0.0 110.437 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.658 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.2 m-90 -94.38 102.32 14.29 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.135 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -125.16 6.07 7.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.103 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.3 mm -103.69 83.95 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 33.3 t -59.66 80.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.752 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.86 -156.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -38.23 73.25 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.752 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.18 19.57 39.53 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.856 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.4 m -135.96 166.53 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.443 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.4 m -98.25 123.03 42.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.7 m120 -114.34 134.53 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.3 p -91.34 36.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 27' ' ' ILE . 24.8 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 121.02 0.438 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.02 106.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.825 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -41.23 116.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.259 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -103.3 167.01 10.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -123.57 -67.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.481 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -93.77 -84.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.1 t-20 -134.84 -47.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.952 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.8 p -133.29 43.8 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -77.07 55.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.475 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.1 m -145.18 -91.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.63 -169.93 3.27 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.27 -25.17 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.8 mt -69.2 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.538 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.604 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -100.62 104.39 15.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.956 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 5.84 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.611 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 18.1 mm -104.23 85.08 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.4 t -60.28 80.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -79.88 -155.85 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.52 179.069 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -37.72 72.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.59 19.47 42.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.918 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.9 m -137.97 165.86 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.304 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 62.2 m -96.49 124.57 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.466 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.3 m120 -112.94 135.53 53.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.984 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.7 p -91.33 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.092 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.929 0.395 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.71 107.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -41.57 116.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.308 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.26 170.44 8.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.494 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -126.57 -69.59 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.481 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 t -93.5 -84.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.5 t-20 -134.35 -49.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 110.987 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -131.53 43.49 3.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.43 54.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.7 m -146.61 -92.94 0.09 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.91 -176.42 5.95 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.743 0.306 . . . . 0.0 110.78 179.638 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.88 -26.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.762 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.777 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.3 mt -69.23 -68.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -99.99 104.78 16.41 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.005 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -123.92 6.49 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.614 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 17.9 mm -105.01 84.14 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.2 t -59.8 80.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.201 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -80.05 -156.24 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.547 179.104 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -37.98 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.749 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.75 19.49 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.88 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.7 m -137.44 165.72 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.26 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.7 m -97.11 124.81 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.445 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.614 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.4 m120 -113.58 135.54 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.018 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.6 p -91.43 35.5 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.078 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.022 0.439 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.7 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -60.2 102.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.46 114.44 0.51 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.58 164.99 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -117.52 -73.36 0.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.258 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -91.76 -83.36 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.5 t-20 -130.43 -44.7 1.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -143.24 44.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.41 56.67 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.041 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.88 -85.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -144.25 -177.7 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 111.087 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.573 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -75.55 -16.88 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.304 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.649 HG22 ' CG1' ' A' ' 26' ' ' VAL . 5.5 mt -73.2 -65.71 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-O 121.392 0.615 . . . . 0.0 111.009 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.931 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.8 m-90 -97.88 105.3 17.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.52 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -115.46 12.81 16.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 33.6 mm -110.6 86.68 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.401 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 20.8 t -63.75 79.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.02 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.88 -155.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.174 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -36.63 71.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.15 18.06 40.19 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.027 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 34.2 m -138.43 166.56 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.844 0.322 . . . . 0.0 111.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.7 m -93.88 130.92 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.6 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.7 m120 -121.45 148.29 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.08 0.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.565 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' ILE . 3.8 tt . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.452 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.09 102.0 14.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.776 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -34.2 110.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.347 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.16 177.97 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -132.92 -67.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -96.81 -85.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.406 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.0 t-20 -132.69 -44.32 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.834 0.35 . . . . 0.0 111.189 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.4 p -137.3 47.06 2.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.75 55.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -147.33 -86.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.47 HD21 HD12 ' A' ' 15' ' ' ILE . 52.0 p-10 -161.23 171.32 18.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.045 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.6 pp -49.51 -26.75 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.83 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.852 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.7 mt -71.62 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.2 m-90 -96.68 106.93 19.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.672 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 12.03 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.345 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.58 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.9 mp -111.62 84.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.847 0.355 . . . . 0.0 110.302 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -62.41 79.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.882 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.94 -154.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.336 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -37.3 72.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.67 20.96 41.3 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.938 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.6 m -138.83 161.12 38.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -91.83 127.05 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.361 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.2 m120 -116.43 153.09 32.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.852 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -0.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.554 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.568 ' OXT' HG22 ' A' ' 27' ' ' ILE . 19.7 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.92 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.001 0.429 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -67.0 102.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -37.23 116.0 0.43 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.207 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.2 p -101.99 177.0 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -131.05 -70.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.39 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -94.61 -84.2 0.33 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.281 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.4 t-20 -133.03 -50.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.5 p -129.45 43.35 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.662 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.47 54.56 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.4 m -147.24 -93.42 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.26 178.82 9.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.504 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -52.68 -29.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.5 mt -66.96 -69.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.479 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -98.65 109.33 22.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.167 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 18' ' ' ILE . 2.8 ptt-85 -126.07 5.52 7.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.7 mp -106.32 85.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -61.9 79.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.046 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tpt180 -80.03 -154.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -37.24 72.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.57 20.51 38.8 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.885 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -137.84 162.26 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.436 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 16' ' ' TRP . 36.2 m -94.28 126.21 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.582 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.0 m120 -113.52 135.03 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.6 p -91.47 34.5 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.084 0.469 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.085 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 2' ' ' LEU . 4.0 mm? -106.22 77.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.97 85.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -90.0 105.47 17.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.69 110.11 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.48 176.84 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm-85 -131.56 -70.96 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.417 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -94.14 -84.68 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.389 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.0 t-20 -133.33 -43.86 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.0 111.206 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -137.01 45.57 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.81 55.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.14 -81.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -161.3 -173.31 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.028 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -68.43 -19.69 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.497 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.849 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -78.66 -62.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.177 0.513 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.11 105.43 17.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.627 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -123.21 12.2 9.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.418 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 32.2 mm -111.47 84.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.9 t -62.77 79.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.796 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 ttt-85 -79.81 -155.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -37.51 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.0 20.48 41.9 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ARG . 90.9 m -138.12 162.22 34.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 111.489 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.5 m -92.94 127.31 38.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.584 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.3 m120 -118.24 151.43 37.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 111.347 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.849 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.526 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 4.7 tt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.411 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.827 HD23 ' CD1' ' A' ' 4' ' ' LEU . 2.4 tp -141.12 84.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 86.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.827 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.56 102.54 14.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.65 110.71 0.11 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.352 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -100.57 -179.58 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -134.56 -70.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.886 0.374 . . . . 0.0 111.441 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -95.25 -85.09 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 20.4 t-20 -131.65 -45.56 0.97 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 0.0 111.112 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.5 p -136.16 46.97 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -78.6 55.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.25 -87.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.68 -167.05 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 2.9 mp -73.23 -16.37 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.749 HG22 ' CG1' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -80.94 -65.72 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.228 0.537 . . . . 0.0 110.797 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.795 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -95.89 106.26 18.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.78 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -123.44 12.29 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.272 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 5.1 mp -110.43 83.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 120.9 0.381 . . . . 0.0 110.223 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.2 t -61.84 79.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -80.12 -154.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -37.28 72.31 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.64 20.71 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.871 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.1 m -138.63 161.42 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.5 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.8 m -92.1 126.65 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.494 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -116.38 150.83 37.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.16 -4.21 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.274 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.8 tp . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.291 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -105.9 52.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.41 66.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -69.18 90.86 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.4 mm100 -30.07 121.3 0.18 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 111.813 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.39 177.93 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.975 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -134.76 -44.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 m -119.17 -86.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.446 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 18.9 t-20 -136.41 -44.28 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.874 0.368 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -132.93 41.72 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.689 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.74 55.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -151.94 -88.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.25 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.49 HD21 HD12 ' A' ' 15' ' ' ILE . 51.7 p30 -160.83 176.44 11.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.922 0.392 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.8 pp -56.29 -21.18 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.9 mt -75.63 -61.1 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.588 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' A' ' 4' ' ' LEU . 3.3 m-90 -99.68 105.63 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.163 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' HB3' ' A' ' 10' ' ' SER . 0.0 OUTLIER -121.53 7.78 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.766 -179.161 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 29.4 mm -110.79 89.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 11.1 t -65.43 79.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.784 ' O ' ' N ' ' A' ' 22' ' ' GLY . 17.8 mtp180 -79.74 -153.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.721 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -36.57 71.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.1 21.92 47.7 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.918 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ARG . 92.1 m -140.51 162.16 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.5 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 16' ' ' TRP . 65.9 m -90.66 132.67 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.642 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 2.8 m120 -119.08 153.62 34.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.422 . . . . 0.0 111.481 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.885 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -1.71 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.581 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.329 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -132.0 105.69 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 65.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.1 0.476 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.754 HD12 HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -65.96 102.74 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.911 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -37.11 113.38 0.25 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.52 176.25 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -130.32 -70.9 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.381 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -93.5 -85.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.339 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.1 t-20 -132.12 -45.25 0.93 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 111.115 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 p -136.57 45.55 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.42 55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -143.43 -88.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.06 -167.84 2.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.2 -13.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.318 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.772 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -84.68 -66.66 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-O 121.215 0.531 . . . . 0.0 110.879 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.932 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -94.4 106.56 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.782 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 11.6 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.233 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 41.4 mm -108.63 83.09 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 110.25 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.3 t -61.83 79.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.1 ttt180 -79.83 -155.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.438 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -37.78 72.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.757 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.63 21.16 41.77 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.906 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ARG . 39.0 m -139.04 161.94 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 111.366 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.2 m -93.11 125.68 37.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.1 m120 -116.64 147.64 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.932 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.05 0.52 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.481 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.544 HG23 ' OXT' ' A' ' 27' ' ' ILE . 3.0 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.883 0.373 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.864 HD23 ' CD1' ' A' ' 4' ' ' LEU . 6.1 tp -137.19 102.44 4.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.8 66.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.864 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -66.53 108.0 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.75 116.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.295 . . . . 0.0 111.189 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -102.03 171.83 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.463 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -128.09 -69.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.524 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -84.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.284 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.4 t-20 -133.8 -48.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 p -131.8 44.05 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.768 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.64 54.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.4 m -147.29 -92.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -156.44 -177.38 6.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.767 0.318 . . . . 0.0 110.705 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.4 mp -58.4 -28.47 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 mt -67.36 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.647 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.599 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -101.11 105.63 16.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.116 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -124.61 8.02 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.7 mm -106.04 83.49 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.4 t -59.38 80.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 ttt180 -80.07 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.16 73.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.05 19.22 44.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.973 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 87.1 m -137.34 166.09 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.4 m -97.71 125.31 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.3 m120 -113.93 136.02 53.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.89 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.4 p -91.19 23.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.352 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.211 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.808 HD23 ' CD1' ' A' ' 4' ' ' LEU . 4.1 tp -131.91 90.54 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 82.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.808 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -81.16 101.0 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.751 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -35.13 117.41 0.4 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.837 0.351 . . . . 0.0 111.356 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.3 p -103.37 164.48 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -119.81 -73.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.375 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -89.74 -83.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.9 t-20 -134.77 -46.82 0.74 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.5 p -135.46 43.41 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.693 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.01 55.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.51 -84.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.635 ' ND2' HD12 ' A' ' 15' ' ' ILE . 50.0 p-10 -164.18 169.19 18.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.538 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -47.08 -33.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.1 0.476 . . . . 0.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.2 mt -63.1 -69.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.415 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.596 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.9 m-90 -96.55 108.3 20.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 4.65 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 15.0 mm -104.39 84.95 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.6 t -61.57 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 58.0 mtp180 -79.73 -156.56 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -37.85 72.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.73 20.1 45.8 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.936 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ARG . 97.9 m -137.13 163.13 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LEU . 54.4 m -96.79 123.94 40.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.5 m120 -113.03 135.54 53.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.197 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.4 p -91.41 35.1 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.195 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.131 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.781 0.324 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 50.1 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.83 66.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.99 107.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.907 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.91 117.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.8 p -101.83 176.94 5.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.676 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -131.59 -71.07 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.842 0.353 . . . . 0.0 111.39 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -94.46 -84.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.408 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.3 t-20 -134.48 -44.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.335 . . . . 0.0 111.163 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -134.01 43.21 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.22 55.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.04 -82.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 15' ' ' ILE . 50.5 p30 -162.79 -171.45 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -69.71 -22.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.536 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.909 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -77.75 -60.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.201 0.524 . . . . 0.0 110.711 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.2 m-90 -99.48 101.29 12.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.356 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.72 12.47 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.302 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 35.4 mm -110.96 84.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.15 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.5 t -61.89 81.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.791 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.748 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -80.01 -156.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -38.31 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.748 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.99 19.42 44.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.894 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -136.34 167.34 21.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 63.0 m -98.79 127.12 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.6 m120 -117.33 149.35 40.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.909 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -80.28 -8.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.539 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.56 179.783 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.638 ' HB3' HD12 ' A' ' 4' ' ' LEU . 3.9 mp -131.32 103.01 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.87 66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.779 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.2 97.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.3 mm100 -32.92 123.04 0.37 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 111.957 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -108.86 171.82 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -129.76 -65.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.31 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -96.15 -82.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.153 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.3 t-20 -139.02 -47.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.3 t -130.06 42.46 3.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.85 55.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.633 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -151.8 -83.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.637 HD21 HD12 ' A' ' 15' ' ' ILE . 51.0 p-10 -166.76 171.87 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -49.82 -34.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.103 0.478 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 26' ' ' VAL . 96.1 mt -60.26 -69.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.616 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.8 m-90 -97.58 98.45 9.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.928 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' SER . 1.0 OUTLIER -119.6 7.1 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.232 179.719 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -104.68 83.61 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.3 t -60.27 80.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -79.86 -156.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.699 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -38.46 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.94 20.49 49.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.853 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' ARG . 68.0 m -137.89 166.73 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.28 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 64.1 m -98.61 125.04 43.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.43 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.605 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.9 m120 -115.76 135.38 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.278 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.2 p -91.37 35.76 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.075 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.416 HD13 ' NE1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -132.25 49.95 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.74 66.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.53 108.02 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.46 112.83 0.28 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.109 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -101.6 173.12 6.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.61 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -128.75 -71.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -93.5 -84.26 0.3 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.339 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 18.3 t-20 -137.25 -44.37 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 p -131.82 40.32 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.26 54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.74 -82.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.1 p30 -161.69 -172.48 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.064 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.8 -19.54 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.524 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.846 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.38 -62.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 110.812 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.645 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -96.83 104.91 16.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.596 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -123.38 12.43 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.377 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 30.7 mm -111.53 84.21 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.775 0.322 . . . . 0.0 110.302 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.9 t -62.58 79.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.85 -155.2 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -37.72 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.765 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.15 20.37 42.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.954 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.0 m -138.07 162.61 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 111.478 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.3 m -93.46 127.42 39.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.2 m120 -118.51 151.28 38.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 111.305 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.846 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 27' ' ' ILE . 2.8 tt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.46 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.65 79.84 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 66.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.462 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -59.89 103.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -42.11 114.91 0.6 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.706 0.288 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.94 162.3 13.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -116.17 -74.34 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.957 0.408 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -89.55 -83.82 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.286 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.9 t-20 -131.64 -44.86 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.4 p -141.55 44.29 1.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.77 56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -84.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -146.36 -171.91 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.486 HD13 ' H ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -78.97 -16.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.694 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -78.03 -65.48 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.786 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.941 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.4 m-90 -94.38 101.1 13.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.683 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -116.11 13.93 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.598 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 26.7 mm -110.82 83.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.0 t -61.19 81.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.246 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.755 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -80.56 -156.17 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.135 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -36.87 72.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.755 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.37 17.57 39.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.142 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 56.3 m -137.73 167.61 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 35.6 m -94.84 131.71 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.598 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m120 -123.33 148.99 45.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.941 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.529 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.616 HD11 ' NH2' ' A' ' 20' ' ' ARG . 3.3 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.254 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.83 0.348 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.07 79.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.65 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.814 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.03 101.3 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -33.28 107.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 111.575 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -100.66 -177.49 3.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -138.95 -65.66 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.417 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 t -98.16 -84.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.0 t-20 -130.69 -43.56 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -141.01 51.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.41 55.93 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 m -148.19 -78.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.556 HD22 ' HZ3' ' A' ' 16' ' ' TRP . 8.0 p30 -169.03 -171.26 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 15' ' ' ILE . 4.0 tp -64.16 -47.41 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.891 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -47.88 -60.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.105 0.479 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.606 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.0 m-90 -98.87 113.53 25.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.412 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -127.56 8.69 6.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.724 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.0 mm -112.74 87.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 9.2 t -64.02 80.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.761 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 ttt180 -79.8 -154.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.762 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -37.62 71.81 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.761 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.65 22.08 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.881 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.8 m -141.71 159.37 42.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 111.404 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 16' ' ' TRP . 75.4 m -91.38 128.89 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.218 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.7 m120 -115.57 153.35 31.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.891 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.09 2.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.53 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.281 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.841 0.353 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.413 HD13 ' NE1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -104.6 50.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 110.788 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -68.89 107.42 3.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.959 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.2 112.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 111.113 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.37 174.44 5.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.671 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -70.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.6 m -94.19 -84.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.349 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 18.7 t-20 -136.66 -44.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p -132.38 41.14 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.61 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -148.35 -82.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -161.59 -172.37 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mm -69.85 -19.74 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.855 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.03 -61.87 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.491 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.625 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.2 104.61 16.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.584 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -122.98 12.33 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.435 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.3 mm -111.28 83.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.0 t -62.6 79.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -79.68 -155.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.658 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -37.83 72.48 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.25 20.65 44.47 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.0 m -138.31 162.07 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.463 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -93.58 127.14 39.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.2 m120 -117.66 151.8 36.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 111.309 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.855 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.02 -4.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.591 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.532 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.412 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.357 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 2' ' ' LEU . 3.9 mm? -106.93 75.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.06 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -87.52 104.9 16.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -36.76 111.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.08 172.78 6.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -127.5 -71.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 111.454 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -92.35 -84.52 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.35 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.9 t-20 -133.25 -45.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -136.87 45.13 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.45 55.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -142.17 -87.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.89 -168.24 2.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.777 0.322 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.52 -11.11 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.335 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.779 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.53 -66.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.189 0.518 . . . . 0.0 110.887 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.936 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -93.68 105.71 17.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.835 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.24 11.68 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.238 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 40.0 mm -108.77 83.81 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.823 0.344 . . . . 0.0 110.28 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 28.3 t -62.0 79.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 ttt85 -79.9 -154.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -37.44 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.02 20.03 40.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.942 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 75.0 m -138.47 162.72 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 111.495 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.4 m -92.76 125.73 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.43 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.1 m120 -117.29 147.55 42.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.957 0.408 . . . . 0.0 111.213 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.936 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.0 0.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.495 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.424 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.787 HD23 ' CD1' ' A' ' 4' ' ' LEU . 2.8 tp -159.96 97.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 64.23 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.787 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.72 102.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.926 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.6 114.24 0.45 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.13 167.21 9.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -119.64 -72.7 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -84.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.24 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.9 t-20 -129.53 -44.47 1.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.395 . . . . 0.0 111.163 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -142.67 44.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.19 56.7 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 -83.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.268 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -144.95 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.995 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -84.32 -15.98 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.695 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.3 mt -78.68 -64.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.183 0.516 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.93 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -94.48 101.25 13.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.715 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -116.21 14.2 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.081 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -110.46 82.66 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.141 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.6 t -60.98 80.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.282 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -80.01 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -37.52 72.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.41 18.35 43.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.043 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.3 m -137.92 166.73 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.9 m -95.42 130.99 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m120 -122.79 149.03 44.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.93 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.605 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' OXT' HG22 ' A' ' 27' ' ' ILE . 2.7 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.227 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.879 0.371 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -104.42 93.09 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 69.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -67.04 108.01 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -41.76 118.56 1.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.22 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -104.11 151.15 23.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.59 -73.01 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.935 0.398 . . . . 0.0 111.406 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 -83.87 0.24 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.223 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.1 t-20 -138.2 -45.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.4 p -132.01 38.53 3.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.754 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.64 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -144.62 -81.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.444 HD21 HD12 ' A' ' 15' ' ' ILE . 52.8 p-10 -163.8 -178.63 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.52 -26.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 mt -74.41 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.415 0.626 . . . . 0.0 110.437 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.658 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.2 m-90 -94.38 102.32 14.29 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.135 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -125.16 6.07 7.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.103 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.3 mm -103.69 83.95 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 33.3 t -59.66 80.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.752 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.86 -156.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -38.23 73.25 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.752 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.18 19.57 39.53 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.856 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.4 m -135.96 166.53 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.443 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.4 m -98.25 123.03 42.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.7 m120 -114.34 134.53 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.3 p -91.34 36.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 27' ' ' ILE . 24.8 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 4' ' ' LEU . 7.1 tp -107.01 106.9 17.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.97 66.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.523 HD11 HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -66.02 106.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.825 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -41.23 116.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.259 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -103.3 167.01 10.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -123.57 -67.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.481 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -93.77 -84.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.1 t-20 -134.84 -47.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.952 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.8 p -133.29 43.8 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -77.07 55.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.475 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.1 m -145.18 -91.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.63 -169.93 3.27 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.27 -25.17 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.8 mt -69.2 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.538 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.604 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -100.62 104.39 15.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.956 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 5.84 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.611 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 18.1 mm -104.23 85.08 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.4 t -60.28 80.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -79.88 -155.85 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.52 179.069 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -37.72 72.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.59 19.47 42.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.918 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.9 m -137.97 165.86 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.304 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 62.2 m -96.49 124.57 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.466 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.3 m120 -112.94 135.53 53.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.984 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.7 p -91.33 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.092 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.68 ' O ' HD22 ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.821 0.344 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 1' ' ' GLN . 4.5 mm? -127.86 84.02 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.81 66.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.71 107.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -41.57 116.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.308 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.26 170.44 8.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.494 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -126.57 -69.59 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.481 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 t -93.5 -84.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 23.5 t-20 -134.35 -49.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 110.987 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -131.53 43.49 3.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.43 54.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.7 m -146.61 -92.94 0.09 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -155.91 -176.42 5.95 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.743 0.306 . . . . 0.0 110.78 179.638 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.88 -26.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.762 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.777 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.3 mt -69.23 -68.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -99.99 104.78 16.41 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.005 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -123.92 6.49 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.614 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 17.9 mm -105.01 84.14 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.2 t -59.8 80.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.201 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -80.05 -156.24 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.547 179.104 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -37.98 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.749 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.75 19.49 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.88 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.7 m -137.44 165.72 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.26 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.7 m -97.11 124.81 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.445 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.614 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.4 m120 -113.58 135.54 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.018 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.6 p -91.43 35.5 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.078 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.73 HD23 ' CD1' ' A' ' 4' ' ' LEU . 4.2 tp -131.81 96.87 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.77 66.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.022 0.439 . . . . 0.0 110.767 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.73 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -60.2 102.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.46 114.44 0.51 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.58 164.99 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -117.52 -73.36 0.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.258 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -91.76 -83.36 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 22.5 t-20 -130.43 -44.7 1.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -143.24 44.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.41 56.67 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.041 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.88 -85.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -144.25 -177.7 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 111.087 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.573 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -75.55 -16.88 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.304 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.649 HG22 ' CG1' ' A' ' 26' ' ' VAL . 5.5 mt -73.2 -65.71 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-O 121.392 0.615 . . . . 0.0 111.009 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.931 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.8 m-90 -97.88 105.3 17.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.52 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -115.46 12.81 16.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 33.6 mm -110.6 86.68 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.401 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 20.8 t -63.75 79.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.02 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.88 -155.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.174 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -36.63 71.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.15 18.06 40.19 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.027 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 34.2 m -138.43 166.56 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.844 0.322 . . . . 0.0 111.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.7 m -93.88 130.92 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.6 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.7 m120 -121.45 148.29 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.08 0.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.565 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' ILE . 3.8 tt . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.452 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.078 HD12 HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -104.12 85.71 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.87 86.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.078 HD12 HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -90.09 102.0 14.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.776 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -34.2 110.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.347 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.16 177.97 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -132.92 -67.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -96.81 -85.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.406 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.0 t-20 -132.69 -44.32 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.834 0.35 . . . . 0.0 111.189 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.4 p -137.3 47.06 2.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.75 55.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -147.33 -86.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.47 HD21 HD12 ' A' ' 15' ' ' ILE . 52.0 p-10 -161.23 171.32 18.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.045 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.6 pp -49.51 -26.75 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.83 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.852 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.7 mt -71.62 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.2 m-90 -96.68 106.93 19.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.672 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 12.03 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.345 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.58 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.9 mp -111.62 84.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.847 0.355 . . . . 0.0 110.302 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -62.41 79.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.882 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.94 -154.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.336 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -37.3 72.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.67 20.96 41.3 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.938 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.6 m -138.83 161.12 38.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -91.83 127.05 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.361 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.2 m120 -116.43 153.09 32.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.852 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -0.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.554 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.568 ' OXT' HG22 ' A' ' 27' ' ' ILE . 19.7 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.92 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.851 HD23 ' CD1' ' A' ' 4' ' ' LEU . 7.7 tp -141.24 102.32 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 66.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.001 0.429 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.851 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -67.0 102.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -37.23 116.0 0.43 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.207 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.2 p -101.99 177.0 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -131.05 -70.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.39 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -94.61 -84.2 0.33 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.281 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 21.4 t-20 -133.03 -50.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.5 p -129.45 43.35 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.662 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.47 54.56 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.4 m -147.24 -93.42 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -158.26 178.82 9.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.504 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -52.68 -29.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.5 mt -66.96 -69.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.479 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -98.65 109.33 22.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.167 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 18' ' ' ILE . 2.8 ptt-85 -126.07 5.52 7.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.7 mp -106.32 85.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -61.9 79.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.046 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tpt180 -80.03 -154.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -37.24 72.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.57 20.51 38.8 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.885 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -137.84 162.26 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.436 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 16' ' ' TRP . 36.2 m -94.28 126.21 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.582 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 8.0 m120 -113.52 135.03 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.6 p -91.47 34.5 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.084 0.469 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.085 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -90.0 105.47 17.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.69 110.11 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.48 176.84 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm-85 -131.56 -70.96 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.417 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -94.14 -84.68 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.389 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -133.33 -43.86 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.0 111.206 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -137.01 45.57 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.81 55.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.14 -81.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -161.3 -173.31 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.028 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -68.43 -19.69 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.497 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.849 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -78.66 -62.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.177 0.513 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.11 105.43 17.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.627 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -123.21 12.2 9.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.418 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 32.2 mm -111.47 84.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.9 t -62.77 79.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.796 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 ttt-85 -79.81 -155.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -37.51 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.0 20.48 41.9 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ARG . 90.9 m -138.12 162.22 34.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 111.489 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.5 m -92.94 127.31 38.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.584 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.24 151.43 37.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 111.347 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.849 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.526 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 4.7 tt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.411 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.56 102.54 14.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.65 110.71 0.11 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.352 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -100.57 -179.58 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -134.56 -70.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.886 0.374 . . . . 0.0 111.441 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -95.25 -85.09 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -131.65 -45.56 0.97 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 0.0 111.112 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.5 p -136.16 46.97 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -78.6 55.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.25 -87.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.68 -167.05 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 2.9 mp -73.23 -16.37 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.749 HG22 ' CG1' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -80.94 -65.72 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.228 0.537 . . . . 0.0 110.797 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.795 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -95.89 106.26 18.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.78 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -123.44 12.29 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.272 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 5.1 mp -110.43 83.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 120.9 0.381 . . . . 0.0 110.223 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.2 t -61.84 79.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -80.12 -154.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -37.28 72.31 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.64 20.71 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.871 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.1 m -138.63 161.42 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.5 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.8 m -92.1 126.65 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.494 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -116.38 150.83 37.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.16 -4.21 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.274 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.8 tp . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.291 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.943 0.401 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -69.18 90.86 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.9 mm-40 -30.07 121.3 0.18 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 111.813 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.39 177.93 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.975 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -134.76 -44.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 m -119.17 -86.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.446 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -136.41 -44.28 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.874 0.368 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -132.93 41.72 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.689 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.74 55.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -151.94 -88.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.25 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.49 HD21 HD12 ' A' ' 15' ' ' ILE . 51.7 p30 -160.83 176.44 11.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.922 0.392 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.8 pp -56.29 -21.18 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.9 mt -75.63 -61.1 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.588 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' A' ' 4' ' ' LEU . 3.3 m-90 -99.68 105.63 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.163 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' HB3' ' A' ' 10' ' ' SER . 0.0 OUTLIER -121.53 7.78 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.766 -179.161 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 29.4 mm -110.79 89.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 11.1 t -65.43 79.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.784 ' O ' ' N ' ' A' ' 22' ' ' GLY . 17.8 mtp180 -79.74 -153.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.721 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -36.57 71.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.1 21.92 47.7 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.918 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ARG . 92.1 m -140.51 162.16 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.5 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 16' ' ' TRP . 65.9 m -90.66 132.67 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.642 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.9 m-80 -119.08 153.62 34.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.422 . . . . 0.0 111.481 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.885 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -1.71 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.581 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.329 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.1 0.476 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.96 102.74 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.911 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -37.11 113.38 0.25 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.52 176.25 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -130.32 -70.9 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.381 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -93.5 -85.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.339 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -132.12 -45.25 0.93 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 111.115 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 p -136.57 45.55 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.42 55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -143.43 -88.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.06 -167.84 2.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.2 -13.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.318 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.772 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -84.68 -66.66 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-O 121.215 0.531 . . . . 0.0 110.879 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.932 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -94.4 106.56 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.782 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 11.6 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.233 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 41.4 mm -108.63 83.09 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 110.25 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.3 t -61.83 79.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.1 ttt180 -79.83 -155.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.438 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -37.78 72.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.757 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.63 21.16 41.77 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.906 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ARG . 39.0 m -139.04 161.94 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 111.366 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.2 m -93.11 125.68 37.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.64 147.64 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.932 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.05 0.52 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.481 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.544 HG23 ' OXT' ' A' ' 27' ' ' ILE . 3.0 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.53 108.0 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.75 116.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.295 . . . . 0.0 111.189 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -102.03 171.83 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.463 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -128.09 -69.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.524 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -84.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.284 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.455 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.9 t30 -133.8 -48.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 p -131.8 44.05 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.768 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.64 54.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 m -147.29 -92.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.44 -177.38 6.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.767 0.318 . . . . 0.0 110.705 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.4 mp -58.4 -28.47 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 mt -67.36 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.647 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.599 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -101.11 105.63 16.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.116 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -124.61 8.02 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.7 mm -106.04 83.49 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.4 t -59.38 80.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 ttt180 -80.07 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.16 73.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.05 19.22 44.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.973 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 87.1 m -137.34 166.09 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.4 m -97.71 125.31 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -113.93 136.02 53.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.89 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.4 p -91.19 23.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.352 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.211 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.946 0.403 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -81.16 101.0 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.751 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -35.13 117.41 0.4 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.837 0.351 . . . . 0.0 111.356 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.3 p -103.37 164.48 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -119.81 -73.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.375 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -89.74 -83.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 t30 -134.77 -46.82 0.74 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.5 p -135.46 43.41 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.693 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.01 55.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.51 -84.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.635 ' ND2' HD12 ' A' ' 15' ' ' ILE . 50.0 p-10 -164.18 169.19 18.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.538 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -47.08 -33.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.1 0.476 . . . . 0.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.2 mt -63.1 -69.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.415 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.596 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.9 m-90 -96.55 108.3 20.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 4.65 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 15.0 mm -104.39 84.95 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.6 t -61.57 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 58.0 mtp180 -79.73 -156.56 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -37.85 72.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.73 20.1 45.8 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.936 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ARG . 97.9 m -137.13 163.13 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LEU . 54.4 m -96.79 123.94 40.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.7 m-80 -113.03 135.54 53.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.197 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.4 p -91.41 35.1 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.195 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.131 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.971 0.415 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.99 107.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.907 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.91 117.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.8 p -101.83 176.94 5.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.676 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -131.59 -71.07 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.842 0.353 . . . . 0.0 111.39 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -94.46 -84.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.408 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.434 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 t30 -134.48 -44.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.335 . . . . 0.0 111.163 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -134.01 43.21 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.22 55.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.04 -82.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 15' ' ' ILE . 50.5 p30 -162.79 -171.45 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -69.71 -22.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.536 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.909 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -77.75 -60.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.201 0.524 . . . . 0.0 110.711 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.2 m-90 -99.48 101.29 12.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.356 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.72 12.47 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.302 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 35.4 mm -110.96 84.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.15 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.5 t -61.89 81.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.791 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.748 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -80.01 -156.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -38.31 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.748 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.99 19.42 44.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.894 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -136.34 167.34 21.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 63.0 m -98.79 127.12 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -117.33 149.35 40.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.909 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -80.28 -8.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.539 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.56 179.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.947 0.403 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.2 97.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.7 mm-40 -32.92 123.04 0.37 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 111.957 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -108.86 171.82 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -129.76 -65.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.31 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -96.15 -82.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.153 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -139.02 -47.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.3 t -130.06 42.46 3.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.85 55.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.633 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -151.8 -83.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.637 HD21 HD12 ' A' ' 15' ' ' ILE . 51.0 p-10 -166.76 171.87 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -49.82 -34.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.103 0.478 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 26' ' ' VAL . 96.1 mt -60.26 -69.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.616 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.8 m-90 -97.58 98.45 9.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.928 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' SER . 1.0 OUTLIER -119.6 7.1 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.232 179.719 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -104.68 83.61 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.3 t -60.27 80.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -79.86 -156.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.699 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -38.46 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.94 20.49 49.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.853 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' ARG . 68.0 m -137.89 166.73 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.28 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 64.1 m -98.61 125.04 43.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.43 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.605 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.2 m-80 -115.76 135.38 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.278 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.2 p -91.37 35.76 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.075 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 121.102 0.477 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.53 108.02 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.46 112.83 0.28 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.109 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -101.6 173.12 6.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.61 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -128.75 -71.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -93.5 -84.26 0.3 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.339 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.1 t30 -137.25 -44.37 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 p -131.82 40.32 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.26 54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.74 -82.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.1 p30 -161.69 -172.48 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.064 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.8 -19.54 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.524 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.846 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.38 -62.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 110.812 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.645 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -96.83 104.91 16.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.596 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -123.38 12.43 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.377 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 30.7 mm -111.53 84.21 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.775 0.322 . . . . 0.0 110.302 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.9 t -62.58 79.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.85 -155.2 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -37.72 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.765 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.15 20.37 42.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.954 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.0 m -138.07 162.61 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 111.478 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.3 m -93.46 127.42 39.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.51 151.28 38.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 111.305 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.846 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 27' ' ' ILE . 2.8 tt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.46 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.071 0.462 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -59.89 103.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -42.11 114.91 0.6 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.706 0.288 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.94 162.3 13.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -116.17 -74.34 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.957 0.408 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -89.55 -83.82 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.286 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -131.64 -44.86 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.4 p -141.55 44.29 1.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.77 56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -84.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -146.36 -171.91 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.486 ' H ' HD13 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -78.97 -16.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.694 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -78.03 -65.48 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.786 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.941 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.4 m-90 -94.38 101.1 13.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.683 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -116.11 13.93 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.598 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 26.7 mm -110.82 83.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.0 t -61.19 81.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.246 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.755 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -80.56 -156.17 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.135 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -36.87 72.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.755 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.37 17.57 39.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.142 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 56.3 m -137.73 167.61 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 35.6 m -94.84 131.71 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.598 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.3 m-80 -123.33 148.99 45.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.941 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.529 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.616 HD11 ' NH2' ' A' ' 20' ' ' ARG . 3.3 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.254 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.98 0.419 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.03 101.3 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -33.28 107.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 111.575 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -100.66 -177.49 3.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -138.95 -65.66 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.417 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 t -98.16 -84.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -130.69 -43.56 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -141.01 51.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.41 55.93 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 m -148.19 -78.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -169.03 -171.26 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 15' ' ' ILE . 4.0 tp -64.16 -47.41 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.891 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -47.88 -60.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.105 0.479 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.606 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.0 m-90 -98.87 113.53 25.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.412 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -127.56 8.69 6.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.724 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.0 mm -112.74 87.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 9.2 t -64.02 80.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.761 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 ttt180 -79.8 -154.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.762 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -37.62 71.81 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.761 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.65 22.08 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.881 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.8 m -141.71 159.37 42.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 111.404 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 16' ' ' TRP . 75.4 m -91.38 128.89 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.218 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m-80 -115.57 153.35 31.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.891 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.09 2.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.53 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.281 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.071 0.462 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -68.89 107.42 3.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.959 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.2 112.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 111.113 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.37 174.44 5.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.671 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -70.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.6 m -94.19 -84.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.349 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -136.66 -44.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p -132.38 41.14 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.61 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -148.35 -82.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -161.59 -172.37 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mm -69.85 -19.74 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.855 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.03 -61.87 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.491 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.625 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.2 104.61 16.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.584 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -122.98 12.33 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.435 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.3 mm -111.28 83.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.0 t -62.6 79.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -79.68 -155.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.658 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -37.83 72.48 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.25 20.65 44.47 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.0 m -138.31 162.07 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.463 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -93.58 127.14 39.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -117.66 151.8 36.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 111.309 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.855 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.02 -4.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.591 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.532 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.412 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.939 0.399 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -87.52 104.9 16.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -36.76 111.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.08 172.78 6.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -127.5 -71.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 111.454 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -92.35 -84.52 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.35 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -133.25 -45.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -136.87 45.13 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.45 55.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -142.17 -87.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.89 -168.24 2.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.777 0.322 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.52 -11.11 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.335 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.779 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.53 -66.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.189 0.518 . . . . 0.0 110.887 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.936 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -93.68 105.71 17.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.835 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.24 11.68 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.238 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 40.0 mm -108.77 83.81 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.823 0.344 . . . . 0.0 110.28 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 28.3 t -62.0 79.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 ttt85 -79.9 -154.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -37.44 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.02 20.03 40.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.942 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 75.0 m -138.47 162.72 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 111.495 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.4 m -92.76 125.73 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.43 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -117.29 147.55 42.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.957 0.408 . . . . 0.0 111.213 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.936 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.0 0.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.495 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.424 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.998 0.428 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.682 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -59.72 102.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.926 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.6 114.24 0.45 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.13 167.21 9.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -119.64 -72.7 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -84.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.24 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.7 t30 -129.53 -44.47 1.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.395 . . . . 0.0 111.163 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -142.67 44.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.19 56.7 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 -83.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.268 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -144.95 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.995 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -84.32 -15.98 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.695 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.3 mt -78.68 -64.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.183 0.516 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.93 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -94.48 101.25 13.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.715 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -116.21 14.2 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.081 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -110.46 82.66 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.141 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.6 t -60.98 80.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.282 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -80.01 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -37.52 72.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.41 18.35 43.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.043 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.3 m -137.92 166.73 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.9 m -95.42 130.99 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.4 m-80 -122.79 149.03 44.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.93 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.605 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' OXT' HG22 ' A' ' 27' ' ' ILE . 2.7 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.227 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.059 0.457 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -67.04 108.01 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -41.76 118.56 1.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.22 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -104.11 151.15 23.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.59 -73.01 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.935 0.398 . . . . 0.0 111.406 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 -83.87 0.24 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.223 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.1 t30 -138.2 -45.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.4 p -132.01 38.53 3.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.754 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.64 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -144.62 -81.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.444 HD21 HD12 ' A' ' 15' ' ' ILE . 52.8 p-10 -163.8 -178.63 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.52 -26.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 mt -74.41 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.415 0.626 . . . . 0.0 110.437 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.658 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.2 m-90 -94.38 102.32 14.29 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.135 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -125.16 6.07 7.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.103 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.3 mm -103.69 83.95 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 33.3 t -59.66 80.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.752 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.86 -156.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -38.23 73.25 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.752 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.18 19.57 39.53 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.856 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.4 m -135.96 166.53 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.443 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.4 m -98.25 123.03 42.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -114.34 134.53 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.3 p -91.34 36.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 27' ' ' ILE . 24.8 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 121.02 0.438 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -66.02 106.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.825 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -41.23 116.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.259 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -103.3 167.01 10.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -123.57 -67.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.481 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -93.77 -84.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -134.84 -47.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.952 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.8 p -133.29 43.8 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -77.07 55.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -145.18 -91.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 -169.93 3.27 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.27 -25.17 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.8 mt -69.2 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.538 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.604 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -100.62 104.39 15.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.956 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 5.84 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.611 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 18.1 mm -104.23 85.08 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.4 t -60.28 80.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -79.88 -155.85 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.52 179.069 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -37.72 72.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.59 19.47 42.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.918 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.9 m -137.97 165.86 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.304 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 62.2 m -96.49 124.57 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.466 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -112.94 135.53 53.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.984 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.7 p -91.33 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.092 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.929 0.395 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.71 107.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -41.57 116.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.308 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.26 170.44 8.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.494 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -126.57 -69.59 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.481 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 t -93.5 -84.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.0 t30 -134.35 -49.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 110.987 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -131.53 43.49 3.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.43 54.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -146.61 -92.94 0.09 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.91 -176.42 5.95 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.743 0.306 . . . . 0.0 110.78 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.88 -26.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.762 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.777 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.3 mt -69.23 -68.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -99.99 104.78 16.41 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.005 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -123.92 6.49 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.614 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 17.9 mm -105.01 84.14 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.2 t -59.8 80.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.201 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -80.05 -156.24 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.547 179.104 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -37.98 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.749 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.75 19.49 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.88 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.7 m -137.44 165.72 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.26 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.7 m -97.11 124.81 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.445 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.614 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -113.58 135.54 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.018 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.6 p -91.43 35.5 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.078 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.022 0.439 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.7 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -60.2 102.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.46 114.44 0.51 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.58 164.99 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -117.52 -73.36 0.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.258 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -91.76 -83.36 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -130.43 -44.7 1.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -143.24 44.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.41 56.67 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.041 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.88 -85.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -144.25 -177.7 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 111.087 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.573 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -75.55 -16.88 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.304 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.649 HG22 ' CG1' ' A' ' 26' ' ' VAL . 5.5 mt -73.2 -65.71 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-O 121.392 0.615 . . . . 0.0 111.009 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.931 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.8 m-90 -97.88 105.3 17.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.52 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -115.46 12.81 16.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 33.6 mm -110.6 86.68 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.401 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 20.8 t -63.75 79.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.02 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.88 -155.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -36.63 71.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.15 18.06 40.19 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.027 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 34.2 m -138.43 166.56 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.844 0.322 . . . . 0.0 111.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.7 m -93.88 130.92 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.6 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.2 m-80 -121.45 148.29 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.08 0.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.565 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' ILE . 3.8 tt . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.452 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.074 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.09 102.0 14.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.776 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -34.2 110.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.347 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.16 177.97 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -132.92 -67.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -96.81 -85.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.406 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -132.69 -44.32 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.834 0.35 . . . . 0.0 111.189 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.4 p -137.3 47.06 2.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.75 55.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -147.33 -86.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.47 HD21 HD12 ' A' ' 15' ' ' ILE . 52.0 p-10 -161.23 171.32 18.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.045 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.6 pp -49.51 -26.75 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.83 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.852 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.7 mt -71.62 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.2 m-90 -96.68 106.93 19.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.672 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 12.03 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.345 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.58 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.9 mp -111.62 84.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.847 0.355 . . . . 0.0 110.302 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -62.41 79.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.882 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.94 -154.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.336 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -37.3 72.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.67 20.96 41.3 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.938 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.6 m -138.83 161.12 38.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -91.83 127.05 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.361 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.43 153.09 32.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.852 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -0.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.554 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.568 ' OXT' HG22 ' A' ' 27' ' ' ILE . 19.7 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.92 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.001 0.429 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -67.0 102.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -37.23 116.0 0.43 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.207 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.2 p -101.99 177.0 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -131.05 -70.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.39 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -94.61 -84.2 0.33 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.281 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -133.03 -50.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.5 p -129.45 43.35 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.662 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.47 54.56 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -147.24 -93.42 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -158.26 178.82 9.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.504 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -52.68 -29.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.5 mt -66.96 -69.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.479 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -98.65 109.33 22.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.167 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 18' ' ' ILE . 2.8 ptt-85 -126.07 5.52 7.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.7 mp -106.32 85.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -61.9 79.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.046 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tpt180 -80.03 -154.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -37.24 72.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.57 20.51 38.8 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.885 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -137.84 162.26 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.436 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 16' ' ' TRP . 36.2 m -94.28 126.21 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.582 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -113.52 135.03 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.6 p -91.47 34.5 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.084 0.469 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.085 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 2' ' ' LEU . 4.0 mm? -106.22 77.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.97 85.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -90.0 105.47 17.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.69 110.11 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.48 176.84 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.53 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 mtm-85 -131.56 -70.96 0.57 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.417 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -94.14 -84.68 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.389 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -133.33 -43.86 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.0 111.206 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 p -137.01 45.57 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.81 55.42 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -146.14 -81.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -161.3 -173.31 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.028 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -68.43 -19.69 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.497 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.849 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -78.66 -62.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.177 0.513 . . . . 0.0 110.829 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.649 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.11 105.43 17.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.627 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -123.21 12.2 9.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.418 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 32.2 mm -111.47 84.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.9 t -62.77 79.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.796 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 ttt-85 -79.81 -155.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -37.51 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.0 20.48 41.9 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ARG . 90.9 m -138.12 162.22 34.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.896 0.379 . . . . 0.0 111.489 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.5 m -92.94 127.31 38.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.584 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.24 151.43 37.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 111.347 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.849 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.526 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 4.7 tt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.411 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.827 HD23 ' CD1' ' A' ' 4' ' ' LEU . 2.4 tp -141.12 84.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 86.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.827 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -87.56 102.54 14.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -35.65 110.71 0.11 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.352 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -100.57 -179.58 4.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -134.56 -70.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.886 0.374 . . . . 0.0 111.441 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.1 t -95.25 -85.09 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.389 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -131.65 -45.56 0.97 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.89 0.376 . . . . 0.0 111.112 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.5 p -136.16 46.97 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -78.6 55.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 m -145.25 -87.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.68 -167.05 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 2.9 mp -73.23 -16.37 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.749 HG22 ' CG1' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -80.94 -65.72 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.228 0.537 . . . . 0.0 110.797 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.795 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -95.89 106.26 18.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.78 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -123.44 12.29 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.272 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.588 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 5.1 mp -110.43 83.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 120.9 0.381 . . . . 0.0 110.223 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.2 t -61.84 79.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.038 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -80.12 -154.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -37.28 72.31 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.64 20.71 40.12 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.871 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.1 m -138.63 161.42 37.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.5 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.8 m -92.1 126.65 37.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.494 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -116.38 150.83 37.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.16 -4.21 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.274 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 27' ' ' ILE . 6.8 tp . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.291 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -105.9 52.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.41 66.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.783 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.652 HD13 ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -69.18 90.86 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.934 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 7.9 mm-40 -30.07 121.3 0.18 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.944 0.402 . . . . 0.0 111.813 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.7 p -108.39 177.93 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.975 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -134.76 -44.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 m -119.17 -86.16 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.446 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -136.41 -44.28 0.61 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.874 0.368 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -132.93 41.72 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.689 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.74 55.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -151.94 -88.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.25 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.49 HD21 HD12 ' A' ' 15' ' ' ILE . 51.7 p30 -160.83 176.44 11.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.922 0.392 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.8 pp -56.29 -21.18 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.885 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.9 mt -75.63 -61.1 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.588 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.652 ' CE3' HD13 ' A' ' 4' ' ' LEU . 3.3 m-90 -99.68 105.63 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.163 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HG3' ' HB3' ' A' ' 10' ' ' SER . 0.0 OUTLIER -121.53 7.78 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.766 -179.161 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 29.4 mm -110.79 89.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.354 . . . . 0.0 110.681 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 11.1 t -65.43 79.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.784 ' O ' ' N ' ' A' ' 22' ' ' GLY . 17.8 mtp180 -79.74 -153.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.721 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -36.57 71.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.1 21.92 47.7 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.918 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ARG . 92.1 m -140.51 162.16 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.5 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 16' ' ' TRP . 65.9 m -90.66 132.67 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.642 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.9 m-80 -119.08 153.62 34.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.422 . . . . 0.0 111.481 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.885 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -1.71 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.581 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.329 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -132.0 105.69 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 65.47 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.1 0.476 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.754 HD12 HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -65.96 102.74 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.911 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -37.11 113.38 0.25 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 111.276 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.52 176.25 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mtm-85 -130.32 -70.9 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.381 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.9 m -93.5 -85.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.339 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -132.12 -45.25 0.93 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 111.115 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 p -136.57 45.55 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.42 55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -143.43 -88.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.06 -167.84 2.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.2 -13.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.318 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.772 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -84.68 -66.66 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-O 121.215 0.531 . . . . 0.0 110.879 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.932 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -94.4 106.56 18.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.782 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.98 11.6 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.233 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 41.4 mm -108.63 83.09 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 110.25 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.3 t -61.83 79.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.05 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.1 ttt180 -79.83 -155.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.438 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -37.78 72.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.757 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.63 21.16 41.77 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.906 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ARG . 39.0 m -139.04 161.94 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 111.366 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.2 m -93.11 125.68 37.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.64 147.64 41.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.89 0.376 . . . . 0.0 111.208 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.932 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.05 0.52 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.481 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.544 HG23 ' OXT' ' A' ' 27' ' ' ILE . 3.0 tt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.883 0.373 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.864 HD23 ' CD1' ' A' ' 4' ' ' LEU . 6.1 tp -137.19 102.44 4.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.8 66.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.864 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -66.53 108.0 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.86 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -41.75 116.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.295 . . . . 0.0 111.189 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -102.03 171.83 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.463 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -128.09 -69.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.524 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -84.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.284 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.9 t30 -133.8 -48.86 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.931 0.396 . . . . 0.0 111.07 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 p -131.8 44.05 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.768 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.64 54.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 m -147.29 -92.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.44 -177.38 6.55 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.767 0.318 . . . . 0.0 110.705 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.4 mp -58.4 -28.47 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 26' ' ' VAL . 8.6 mt -67.36 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.647 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.599 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -101.11 105.63 16.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.116 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -124.61 8.02 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.7 mm -106.04 83.49 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.4 t -59.38 80.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 ttt180 -80.07 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -38.16 73.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.05 19.22 44.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.973 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 87.1 m -137.34 166.09 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 66.4 m -97.71 125.31 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -113.93 136.02 53.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.89 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 15' ' ' ILE . 4.4 p -91.19 23.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.352 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.211 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.813 0.339 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.808 HD23 ' CD1' ' A' ' 4' ' ' LEU . 4.1 tp -131.91 90.54 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 82.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.808 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -81.16 101.0 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.751 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -35.13 117.41 0.4 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.837 0.351 . . . . 0.0 111.356 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.3 p -103.37 164.48 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -119.81 -73.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.375 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -89.74 -83.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.231 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 t30 -134.77 -46.82 0.74 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.5 p -135.46 43.41 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.693 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -78.01 55.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.51 -84.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.635 ' ND2' HD12 ' A' ' 15' ' ' ILE . 50.0 p-10 -164.18 169.19 18.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.538 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -47.08 -33.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 121.1 0.476 . . . . 0.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.2 mt -63.1 -69.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.415 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.596 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.9 m-90 -96.55 108.3 20.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 4.65 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 15.0 mm -104.39 84.95 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.6 t -61.57 80.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 58.0 mtp180 -79.73 -156.56 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -37.85 72.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.73 20.1 45.8 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.936 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ARG . 97.9 m -137.13 163.13 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LEU . 54.4 m -96.79 123.94 40.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.547 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.7 m-80 -113.03 135.54 53.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.197 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.4 p -91.41 35.1 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.195 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.131 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.781 0.324 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 50.1 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.83 66.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.99 107.72 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.907 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.91 117.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.8 p -101.83 176.94 5.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.676 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -131.59 -71.07 0.56 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.842 0.353 . . . . 0.0 111.39 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -94.46 -84.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.408 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.5 t30 -134.48 -44.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.335 . . . . 0.0 111.163 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.0 p -134.01 43.21 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.22 55.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.04 -82.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 15' ' ' ILE . 50.5 p30 -162.79 -171.45 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.5 mp -69.71 -22.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.536 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.909 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -77.75 -60.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.201 0.524 . . . . 0.0 110.711 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.494 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.2 m-90 -99.48 101.29 12.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.356 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.72 12.47 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.302 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 35.4 mm -110.96 84.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.15 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 19.5 t -61.89 81.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.791 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.748 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -80.01 -156.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -38.31 73.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.748 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.99 19.42 44.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.894 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -136.34 167.34 21.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.305 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 63.0 m -98.79 127.12 44.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.437 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.609 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -117.33 149.35 40.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.909 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -80.28 -8.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.539 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.56 179.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.638 ' HB3' HD12 ' A' ' 4' ' ' LEU . 3.9 mp -131.32 103.01 6.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.87 66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.779 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -69.2 97.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.7 mm-40 -32.92 123.04 0.37 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 111.957 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -108.86 171.82 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -129.76 -65.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.31 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -96.15 -82.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.153 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -139.02 -47.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.944 0.402 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 31.3 t -130.06 42.46 3.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -75.85 55.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.633 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -151.8 -83.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.637 HD21 HD12 ' A' ' 15' ' ' ILE . 51.0 p-10 -166.76 171.87 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.1 mm -49.82 -34.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.103 0.478 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 26' ' ' VAL . 96.1 mt -60.26 -69.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.616 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.8 m-90 -97.58 98.45 9.91 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.928 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' SER . 1.0 OUTLIER -119.6 7.1 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.232 179.719 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -104.68 83.61 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.3 t -60.27 80.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -79.86 -156.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.699 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -38.46 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.94 20.49 49.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.125 -0.56 . . . . 0.0 112.853 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' ARG . 68.0 m -137.89 166.73 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.28 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 64.1 m -98.61 125.04 43.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.43 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.605 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 4.2 m-80 -115.76 135.38 54.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.278 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.2 p -91.37 35.76 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.6 tt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.075 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.416 HD13 ' NE1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -132.25 49.95 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.74 66.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.102 0.477 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -69.53 108.02 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.077 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.46 112.83 0.28 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.109 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -101.6 173.12 6.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.61 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -128.75 -71.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.865 0.364 . . . . 0.0 111.447 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -93.5 -84.26 0.3 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.339 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.1 t30 -137.25 -44.37 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 111.152 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 p -131.82 40.32 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.632 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.26 54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.74 -82.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' ND2' HG13 ' A' ' 15' ' ' ILE . 52.1 p30 -161.69 -172.48 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.064 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.8 -19.54 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.524 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.846 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.38 -62.09 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 110.812 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.645 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -96.83 104.91 16.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.596 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -123.38 12.43 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.377 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 30.7 mm -111.53 84.21 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.775 0.322 . . . . 0.0 110.302 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.9 t -62.58 79.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.798 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.85 -155.2 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 179.348 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -37.72 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.765 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.15 20.37 42.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.954 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.0 m -138.07 162.61 33.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 0.0 111.478 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.3 m -93.46 127.42 39.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -118.51 151.28 38.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 111.305 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.846 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.17 -3.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.536 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 27' ' ' ILE . 2.8 tt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.46 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.65 79.84 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.9 66.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.071 0.462 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.667 HD13 ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -59.89 103.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -42.11 114.91 0.6 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.706 0.288 . . . . 0.0 110.91 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.94 162.3 13.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -116.17 -74.34 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.957 0.408 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -89.55 -83.82 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.286 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -131.64 -44.86 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.4 p -141.55 44.29 1.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.77 56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.48 -84.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -146.36 -171.91 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.486 ' H ' HD13 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -78.97 -16.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.694 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -78.03 -65.48 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.786 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.941 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.4 m-90 -94.38 101.1 13.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.683 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -116.11 13.93 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.598 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 26.7 mm -110.82 83.55 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 27.0 t -61.19 81.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.246 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.755 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -80.56 -156.17 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.135 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -36.87 72.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.755 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.37 17.57 39.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.142 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 56.3 m -137.73 167.61 21.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' LEU . 35.6 m -94.84 131.71 40.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.598 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.3 m-80 -123.33 148.99 45.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.941 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.529 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.616 HD11 ' NH2' ' A' ' 20' ' ' ARG . 3.3 mt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.254 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.83 0.348 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.07 79.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.65 86.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.814 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -90.03 101.3 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -33.28 107.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 111.575 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 p -100.66 -177.49 3.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -138.95 -65.66 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.907 0.384 . . . . 0.0 111.417 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.7 t -98.16 -84.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.333 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -130.69 -43.56 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -141.01 51.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.41 55.93 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 m -148.19 -78.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.968 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' HG13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -169.03 -171.26 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 15' ' ' ILE . 4.0 tp -64.16 -47.41 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.891 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.2 mt -47.88 -60.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.105 0.479 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.606 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.0 m-90 -98.87 113.53 25.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.412 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -127.56 8.69 6.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.724 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.0 mm -112.74 87.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 9.2 t -64.02 80.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.761 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 ttt180 -79.8 -154.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.762 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -37.62 71.81 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.761 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.65 22.08 51.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.167 -0.539 . . . . 0.0 112.881 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.8 m -141.71 159.37 42.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 111.404 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 16' ' ' TRP . 75.4 m -91.38 128.89 37.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.218 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 7.8 m-80 -115.57 153.35 31.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.891 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.09 2.06 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.53 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.281 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.841 0.353 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.413 HD13 ' NE1' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -104.6 50.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 66.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 110.788 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -68.89 107.42 3.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.959 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.2 112.59 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.69 0.281 . . . . 0.0 111.113 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.37 174.44 5.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.671 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -70.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.6 m -94.19 -84.56 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.349 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -136.66 -44.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 p -132.38 41.14 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.61 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -148.35 -82.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.6 p30 -161.59 -172.37 3.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mm -69.85 -19.74 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.855 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.6 mt -79.03 -61.87 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.491 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.625 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.3 m-90 -97.2 104.61 16.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.584 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -122.98 12.33 9.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.435 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 31.3 mm -111.28 83.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 17.0 t -62.6 79.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -79.68 -155.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.658 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -37.83 72.48 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.25 20.65 44.47 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.0 m -138.31 162.07 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.463 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -93.58 127.14 39.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -117.66 151.8 36.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.974 0.416 . . . . 0.0 111.309 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.855 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.02 -4.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.591 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.532 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.412 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.357 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 2' ' ' LEU . 3.9 mm? -106.93 75.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -61.06 86.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.809 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -87.52 104.9 16.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -36.76 111.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.08 172.78 6.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.613 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -127.5 -71.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.923 0.392 . . . . 0.0 111.454 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -92.35 -84.52 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.35 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -133.25 -45.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -136.87 45.13 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -78.45 55.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -142.17 -87.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.89 -168.24 2.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.777 0.322 . . . . 0.0 110.791 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -73.52 -11.11 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.335 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.779 HG22 HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.53 -66.57 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.189 0.518 . . . . 0.0 110.887 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.936 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.6 m-90 -93.68 105.71 17.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.835 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.24 11.68 9.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.238 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 40.0 mm -108.77 83.81 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.823 0.344 . . . . 0.0 110.28 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 28.3 t -62.0 79.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 ttt85 -79.9 -154.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -37.44 72.5 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.02 20.03 40.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.942 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 75.0 m -138.47 162.72 33.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 111.495 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 4' ' ' LEU . 58.4 m -92.76 125.73 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.43 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.599 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -117.29 147.55 42.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.957 0.408 . . . . 0.0 111.213 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.936 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.0 0.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.495 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 ' OXT' ' A' ' 27' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.424 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.787 HD23 ' CD1' ' A' ' 4' ' ' LEU . 2.8 tp -159.96 97.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 64.23 1.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.787 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.72 102.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.926 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.6 114.24 0.45 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.13 167.21 9.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -119.64 -72.7 0.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -84.03 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.24 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.7 t30 -129.53 -44.47 1.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.395 . . . . 0.0 111.163 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -142.67 44.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -80.19 56.7 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.36 -83.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.268 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -144.95 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.995 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -84.32 -15.98 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.695 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.3 mt -78.68 -64.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.183 0.516 . . . . 0.0 110.692 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.93 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.5 m-90 -94.48 101.25 13.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.715 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -116.21 14.2 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.081 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 19.6 mm -110.46 82.66 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.882 0.373 . . . . 0.0 110.141 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.6 t -60.98 80.98 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.282 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -80.01 -156.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -37.52 72.68 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.41 18.35 43.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.043 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' ARG . 37.3 m -137.92 166.73 23.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.9 m -95.42 130.99 42.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.596 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.4 m-80 -122.79 149.03 44.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.93 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.14 10.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.605 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' OXT' HG22 ' A' ' 27' ' ' ILE . 2.7 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.227 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.879 0.371 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -104.42 93.09 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.93 69.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.028 HD12 HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -67.04 108.01 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -41.76 118.56 1.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.22 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.1 p -104.11 151.15 23.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.59 -73.01 0.7 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.935 0.398 . . . . 0.0 111.406 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 -83.87 0.24 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.223 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.1 t30 -138.2 -45.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.4 p -132.01 38.53 3.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.754 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.64 55.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -144.62 -81.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.444 HD21 HD12 ' A' ' 15' ' ' ILE . 52.8 p-10 -163.8 -178.63 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.52 -26.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.25 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.821 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.4 mt -74.41 -66.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.415 0.626 . . . . 0.0 110.437 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.658 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 3.2 m-90 -94.38 102.32 14.29 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.135 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -125.16 6.07 7.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.103 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 20.3 mm -103.69 83.95 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 33.3 t -59.66 80.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.206 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.752 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -79.86 -156.63 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -38.23 73.25 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.752 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.18 19.57 39.53 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.856 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' ARG . 74.4 m -135.96 166.53 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 111.443 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 4' ' ' LEU . 59.4 m -98.25 123.03 42.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.606 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -114.34 134.53 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.3 p -91.34 36.28 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.021 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 27' ' ' ILE . 24.8 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.852 0.358 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD23 HD11 ' A' ' 4' ' ' LEU . 7.1 tp -107.01 106.9 17.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.97 66.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.523 HD11 HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -66.02 106.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.825 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -41.23 116.97 0.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.259 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.0 p -103.3 167.01 10.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.469 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -123.57 -67.6 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 0.0 111.481 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -93.77 -84.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.6 t30 -134.84 -47.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.952 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.8 p -133.29 43.8 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -77.07 55.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -145.18 -91.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 -169.93 3.27 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tp -68.27 -25.17 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.771 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.775 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.8 mt -69.2 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.538 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.604 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -100.62 104.39 15.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.956 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 5.84 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.611 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 18.1 mm -104.23 85.08 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 24.4 t -60.28 80.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.207 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -79.88 -155.85 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.52 179.069 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -37.72 72.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.59 19.47 42.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.918 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ARG . 70.9 m -137.97 165.86 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.304 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LEU . 62.2 m -96.49 124.57 40.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.466 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -112.94 135.53 53.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.984 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.7 p -91.33 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.092 -179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.68 ' O ' HD22 ' A' ' 2' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.821 0.344 . . . . 0.0 111.185 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 1' ' ' GLN . 4.5 mm? -127.86 84.02 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.81 66.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -65.71 107.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -41.57 116.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.746 0.308 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.26 170.44 8.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.494 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -126.57 -69.59 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.481 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.0 t -93.5 -84.12 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 2.0 t30 -134.35 -49.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.008 0.432 . . . . 0.0 110.987 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -131.53 43.49 3.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.804 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.43 54.86 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -146.61 -92.94 0.09 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.91 -176.42 5.95 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.743 0.306 . . . . 0.0 110.78 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.88 -26.86 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.762 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.777 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.3 mt -69.23 -68.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.3 m-90 -99.99 104.78 16.41 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.005 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -123.92 6.49 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.614 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 17.9 mm -105.01 84.14 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 22.2 t -59.8 80.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.201 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.749 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -80.05 -156.24 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.547 179.104 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -37.98 72.95 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.749 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 58.75 19.49 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.88 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ARG . 79.7 m -137.44 165.72 25.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.757 0.313 . . . . 0.0 111.26 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.7 m -97.11 124.81 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.445 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.614 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.7 m-80 -113.58 135.54 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.018 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 15' ' ' ILE . 6.6 p -91.43 35.5 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.162 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.078 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.73 HD23 ' CD1' ' A' ' 4' ' ' LEU . 4.2 tp -131.81 96.87 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.77 66.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.022 0.439 . . . . 0.0 110.767 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.73 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -60.2 102.59 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.115 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.46 114.44 0.51 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.58 164.99 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -117.52 -73.36 0.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.258 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -91.76 -83.36 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.4 t30 -130.43 -44.7 1.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -143.24 44.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.41 56.67 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.041 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.88 -85.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.366 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -144.25 -177.7 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 111.087 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.573 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.7 mp -75.55 -16.88 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.304 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.649 HG22 ' CG1' ' A' ' 26' ' ' VAL . 5.5 mt -73.2 -65.71 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-O 121.392 0.615 . . . . 0.0 111.009 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.931 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.8 m-90 -97.88 105.3 17.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.52 -178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -115.46 12.81 16.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 33.6 mm -110.6 86.68 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.401 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 20.8 t -63.75 79.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.02 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.762 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.88 -155.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -36.63 71.82 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.762 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 59.15 18.06 40.19 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.027 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 34.2 m -138.43 166.56 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.844 0.322 . . . . 0.0 111.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LEU . 34.7 m -93.88 130.92 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.074 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.6 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.2 m-80 -121.45 148.29 44.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -90.08 0.49 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.565 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' ILE . 3.8 tt . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.452 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.078 HD12 HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -104.12 85.71 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.87 86.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.078 HD12 HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -90.09 102.0 14.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.776 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -34.2 110.09 0.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.347 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.16 177.97 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -132.92 -67.38 0.63 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -96.81 -85.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.406 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.3 t30 -132.69 -44.32 0.89 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.834 0.35 . . . . 0.0 111.189 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.4 p -137.3 47.06 2.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.75 55.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -147.33 -86.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.47 HD21 HD12 ' A' ' 15' ' ' ILE . 52.0 p-10 -161.23 171.32 18.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.045 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.6 pp -49.51 -26.75 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.83 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.852 HG22 ' CG1' ' A' ' 26' ' ' VAL . 1.7 mt -71.62 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.152 0.501 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.618 ' CD1' HG13 ' A' ' 26' ' ' VAL . 3.2 m-90 -96.68 106.93 19.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.672 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 12.03 8.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.345 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.58 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.9 mp -111.62 84.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.847 0.355 . . . . 0.0 110.302 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -62.41 79.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.882 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.94 -154.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.336 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -37.3 72.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.766 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.67 20.96 41.3 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.938 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ARG . 71.6 m -138.83 161.12 38.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 111.478 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 4' ' ' LEU . 60.0 m -91.83 127.05 37.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.361 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.6 m-80 -116.43 153.09 32.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.852 ' CG1' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.19 -0.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.554 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.568 ' OXT' HG22 ' A' ' 27' ' ' ILE . 19.7 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.92 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.851 HD23 ' CD1' ' A' ' 4' ' ' LEU . 7.7 tp -141.24 102.32 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 66.22 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.001 0.429 . . . . 0.0 110.805 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.851 ' CD1' HD23 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -67.0 102.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.817 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -37.23 116.0 0.43 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.207 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.2 p -101.99 177.0 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -131.05 -70.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.39 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -94.61 -84.2 0.33 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.281 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 1.2 t30 -133.03 -50.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 111.043 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.5 p -129.45 43.35 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.662 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.47 54.56 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -147.24 -93.42 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' ND2' ' CE3' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -158.26 178.82 9.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.504 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -52.68 -29.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.5 mt -66.96 -69.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.479 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 4.2 m-90 -98.65 109.33 22.11 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.167 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 18' ' ' ILE . 2.8 ptt-85 -126.07 5.52 7.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.232 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.582 ' HB ' ' HB2' ' A' ' 25' ' ' ASN . 4.7 mp -106.32 85.35 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 16.0 t -61.9 79.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.046 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.763 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tpt180 -80.03 -154.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -37.24 72.35 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' A' ' 20' ' ' ARG . . . 57.57 20.51 38.8 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.885 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ARG . 81.0 m -137.84 162.26 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.436 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 16' ' ' TRP . 36.2 m -94.28 126.21 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.582 ' HB2' ' HB ' ' A' ' 18' ' ' ILE . 3.5 m-80 -113.52 135.03 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 15' ' ' ILE . 7.6 p -91.47 34.5 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.084 0.469 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.085 -179.899 . . . . . . . . 0 0 . 1 stop_ save_